Home Cart 0 Sign in  

[ CAS No. 2424-92-2 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 2424-92-2
Chemical Structure| 2424-92-2
Structure of 2424-92-2 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 2424-92-2 ]

Related Doc. of [ 2424-92-2 ]

Alternatived Products of [ 2424-92-2 ]

Product Details of [ 2424-92-2 ]

CAS No. :2424-92-2 MDL No. :MFCD00059627
Formula : C20H38O4 Boiling Point : -
Linear Structure Formula :- InChI Key :JJOJFIHJIRWASH-UHFFFAOYSA-N
M.W : 342.51 Pubchem ID :75502
Synonyms :
Chemical Name :Icosanedioic acid

Calculated chemistry of [ 2424-92-2 ]

Physicochemical Properties

Num. heavy atoms : 24
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.9
Num. rotatable bonds : 19
Num. H-bond acceptors : 4.0
Num. H-bond donors : 2.0
Molar Refractivity : 101.8
TPSA : 74.6 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -3.04 cm/s

Lipophilicity

Log Po/w (iLOGP) : 3.97
Log Po/w (XLOGP3) : 7.53
Log Po/w (WLOGP) : 6.18
Log Po/w (MLOGP) : 4.11
Log Po/w (SILICOS-IT) : 6.03
Consensus Log Po/w : 5.56

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 1.0
Egan : 1.0
Muegge : 2.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -5.45
Solubility : 0.00121 mg/ml ; 0.00000352 mol/l
Class : Moderately soluble
Log S (Ali) : -8.93
Solubility : 0.000000401 mg/ml ; 0.0000000012 mol/l
Class : Poorly soluble
Log S (SILICOS-IT) : -5.88
Solubility : 0.000453 mg/ml ; 0.00000132 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 2.77

Safety of [ 2424-92-2 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P305+P351+P338 UN#:N/A
Hazard Statements:H315-H319 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 2424-92-2 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 2424-92-2 ]

[ 2424-92-2 ] Synthesis Path-Downstream   1~88

  • 3
  • [ 33128-31-3 ]
  • [ 2424-92-2 ]
  • 4
  • [ 110876-35-2 ]
  • [ 2424-92-2 ]
  • 5
  • [ 874003-63-1 ]
  • [ 2424-92-2 ]
  • 7
  • [ 6907-39-7 ]
  • [ 2424-92-2 ]
  • 8
  • [ 71-23-8 ]
  • [ 2424-92-2 ]
  • [ 26720-60-5 ]
  • 9
  • [ 78-83-1 ]
  • [ 2424-92-2 ]
  • [ 26720-63-8 ]
  • 10
  • [ 71-41-0 ]
  • [ 2424-92-2 ]
  • [ 26720-59-2 ]
  • 13
  • [ 17207-61-3 ]
  • [ 2424-92-2 ]
  • 14
  • [ 2424-92-2 ]
  • [ 67-63-0 ]
  • [ 26720-61-6 ]
  • 15
  • [ 2424-92-2 ]
  • [ 71-36-3 ]
  • [ 26720-62-7 ]
  • 16
  • [ 2424-92-2 ]
  • [ 7735-43-5 ]
YieldReaction ConditionsOperation in experiment
51% With lithium aluminium tetrahydride; In tetrahydrofuran;Inert atmosphere; Reflux; Under an atmosphere of nitrogen, <strong>[2424-92-2]eicosanedioic acid</strong> (890 mg, 2.60 mmol, 1 equiv) was dissolved in freshly distilled THF (60 mL). The solution was cooled to 0 C and to this was added in small portions lithium aluminum hydride (370 mg, 9.75 mmol, 3.75 equiv). The mixture was warmed to rt and then heated at reflux temperature for 12 h. The mixture was cooled to 0 C, quenched with wet THF and then water (5 mL), stirred at rt for 1 h, then concentrated and dried under high vacuum. The remaining residue was extracted with boiling methanol, then boiling ethyl acetate, and the combined organic extracts were filtered, and the filtrate concentrated. High-vacuum drying gave a white solid that was washed with a solution of 1% w/w sodium carbonate in water (100 mL). The solid was collected by filtration and washed with water (100 mL). High-vacuum drying gave the product (416 mg, 1.32 mmol, 51%) as a white solid; mp >260 C; 1H NMR (400 MHz, CD3OD): delta 1.18-1.38 (m, 32H), 1.46-1.57 (m, 4H), 3.54 (t, J = 6.6 Hz, 4H); 13C NMR (100 MHz, DMSO-d6 + CDCl3): delta 25.4, 28.8, 28.9 (5C), 29.0, 32.4, 60.9.
  • 17
  • [ 2424-92-2 ]
  • [ 101702-50-5 ]
YieldReaction ConditionsOperation in experiment
With oxalyl dichloride; In dichloromethane; at 20℃; for 24h;Inert atmosphere; General procedure: The corresponding carboxylic or dicarboxylic acid (1.0 mmol) was dissolved in dry dichloromethane (5 ml) and oxalylchloride (0.17 ml, 2.0 mmol) was added under nitrogen atmosphere. The mixture was stirred for 24 hours at room temperature. After removing the solvent under reduced pressure, haloperidol(940 mg, 2.5 mmol), dichloromethane (10 ml) and DIPEA (0.41 ml, 2.5 mmol) were added. After being stirred for 19 hours at room temperature the reaction mixture was treated with water and extracted with dichloromethane. The organic layer was washed with NaHCO3 (saturated solution) and brine. After being dried over Na2SO4 the solvent was removed under reduced pressure to obtain the crude product. Purification was performed using flash chromatography with dichloromethane/methanol as a solvent system.
With thionyl chloride; In dichloromethane; at 80℃; for 3h; Eicosanedioic acid (20.0 g, 58.39 mmol) was suspended in thionyl chloride (100 ml),The mixture was heated to reflux at 80C for 3 hours, and excess thionyl chloride was distilled off under reduced pressure. Add dichloromethane (200ml) to dissolve,Tert-butanol (6.14 ml, 64.26 mmol), pyridine (4.94 ml, 61.34 mmol) were added, pyridine was added within 2 hours, and the reaction was carried out at 20C for 3 hours. Evaporate the solvent under reduced pressure600 ml of a DMF/water mixed solvent pre-cooled to 0 to 4[deg.] C. was added (DMF and water were mixed in a volume ratio of 1:2), and the precipitate was collected by filtration. Dry to constant weight in vacuo and resuspend in dichloromethane (200ml) pre-chilled to 0-4C.After the filtrate was collected, the solvent was evaporated under reduced pressure, re-suspended by adding petroleum ether (400 ml), and the filtrate was evaporated to dryness under reduced pressure.Add n-heptane (80 ml) to recrystallize, collect the precipitate by filtration, and dry it under reduced pressure to constant weight.Yield 8.85 g, yield: 38%, HPLC purity: 99.4%.
  • 18
  • [ 74965-97-2 ]
  • [ 2424-92-2 ]
  • 19
  • [ 81393-31-9 ]
  • [ 2424-92-2 ]
  • 20
  • C20H32O6(2-)*2Na(1+) [ No CAS ]
  • [ 2424-92-2 ]
  • 21
  • [ 2424-92-2 ]
  • [ 58479-61-1 ]
  • C36H56O4Si [ No CAS ]
  • 22
  • [ 2424-92-2 ]
  • [ 362-43-6 ]
  • Icosanedioic acid bis-[(3aR,4R,6R,6aR)-6-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-2,2-dimethyl-tetrahydro-furo[3,4-d][1,3]dioxol-4-ylmethyl] ester [ No CAS ]
  • 23
  • [ 2424-92-2 ]
  • barium hydroxide [ No CAS ]
  • [ 593-45-3 ]
  • 25
  • 9-oxo-octadecane-dicarboxylic acid-(1.18) [ No CAS ]
  • [ 2424-92-2 ]
  • 26
  • lower-melting octadecene-(9)-dicarboxylic acid-(1.18) [ No CAS ]
  • [ 2424-92-2 ]
  • 27
  • nonane-dicarboxylic acid-(1.9)-monoethyl ester [ No CAS ]
  • [ 2424-92-2 ]
  • 28
  • octadecane-tetracarboxylic acid-(1.1.18.18) [ No CAS ]
  • [ 2424-92-2 ]
  • 29
  • [ 95-14-7 ]
  • [ 2424-92-2 ]
  • 1,18-di(1H-1,2,3-benzotriazol-1-yl)-1,18-octadecanedione [ No CAS ]
  • 31
  • [ 2424-92-2 ]
  • 1,22-bis-diazo-docosane-2,21-dione [ No CAS ]
  • 33
  • [ 2424-92-2 ]
  • [ 838888-27-0 ]
  • 34
  • [ 2424-92-2 ]
  • 20-[5-(3,4-dimethyl-5-oxo-1,5-dihydro-pyrrol-2-ylidenemethyl)-3,4-dimethyl-1<i>H</i>-pyrrol-2-yl]-eicosanoic acid methyl ester [ No CAS ]
  • 36
  • [ 2424-92-2 ]
  • [ 340729-02-4 ]
  • 37
  • [ 2424-92-2 ]
  • N,N'-bis(1R,2R-3,6,9,12,15,18-hexaoxacycloocta-2-carboxyl-1-carbonyl)-1,28-diamino-4,25-dioxa-5,24-dioxooctacosane [ No CAS ]
  • 38
  • [ 2424-92-2 ]
  • 1,28-diamino-4,25-dioxa-5,24-dioxooctacosane bis(hydrogen formate) [ No CAS ]
  • 39
  • [ 2424-92-2 ]
  • [ 217471-35-7 ]
  • 40
  • [ 2424-92-2 ]
  • Icosanedioic acid bis-[((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yl)-amide] [ No CAS ]
  • 41
  • [ 2424-92-2 ]
  • [ 208592-28-3 ]
  • 42
  • [ 2424-92-2 ]
  • [ 172959-47-6 ]
  • 43
  • [ 2424-92-2 ]
  • [ 172959-49-8 ]
  • 44
  • [ 2424-92-2 ]
  • [ 172959-50-1 ]
  • 45
  • [ 2424-92-2 ]
  • [ 172959-52-3 ]
  • 46
  • [ 2424-92-2 ]
  • [ 172959-48-7 ]
  • 47
  • [ 2424-92-2 ]
  • [ 172959-51-2 ]
  • 48
  • [ 2424-92-2 ]
  • [ 172959-45-4 ]
  • 49
  • [ 2424-92-2 ]
  • [ 172959-43-2 ]
  • 50
  • [ 2424-92-2 ]
  • methyl 3,17-diethyl-1,10,19,21,23,24-hexahydro-2,7,13,18-tetramethyl-1,19-dioxobilin-8,12-bis-eicosanoate [ No CAS ]
  • 51
  • [ 2424-92-2 ]
  • methyl 3,17-diethyl-1,19,21,24-tetrahydro-2,7,13,18-tetramethyl-1,19-dioxobilin-8,12-bis-eicosanoate [ No CAS ]
  • 52
  • [ 2424-92-2 ]
  • bis(triethylammonium)1,20-eicosanediyl disulfate [ No CAS ]
  • 53
  • [ 2424-92-2 ]
  • C63H91N4O11Si(1+)*Cl(1-) [ No CAS ]
  • 54
  • [ 2424-92-2 ]
  • C36H55NO3Si [ No CAS ]
  • 55
  • [ 2424-92-2 ]
  • C61H86N4O11Si [ No CAS ]
  • 56
  • [ 2424-92-2 ]
  • 2-[{(R)-3-[4-(18-Carboxy-octadecylcarbamoyloxy)-piperidine-1-carbonyloxy]-2-methoxy-propoxycarbonyl}-(2-methoxy-benzoyl)-amino]-methyl}-1-ethyl-pyridinium; chloride [ No CAS ]
  • 57
  • [ 505-48-6 ]
  • trimethylene [ No CAS ]
  • [ 2424-92-2 ]
  • 58
  • [ 2424-92-2 ]
  • [ 14604-28-5 ]
  • 59
  • [ 2424-92-2 ]
  • [ 113960-53-5 ]
  • 60
  • [ 2424-92-2 ]
  • [ 111504-97-3 ]
  • 61
  • [ 2424-92-2 ]
  • [ 111690-81-4 ]
  • 62
  • [ 2424-92-2 ]
  • [ 111690-86-9 ]
  • 63
  • [ 2424-92-2 ]
  • C32H56O6(2-)*2Na(1+) [ No CAS ]
  • 66
  • [ 34959-19-8 ]
  • [ 2424-92-2 ]
  • 67
  • [ 81393-27-3 ]
  • [ 2424-92-2 ]
  • 68
  • [ 2424-92-2 ]
  • [ 127999-01-3 ]
  • 69
  • [ 2424-92-2 ]
  • Icosanedioic acid bis-{2-[2-(2-{2-[2-(2-trityloxy-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethoxy]-ethyl} ester [ No CAS ]
  • 78
  • [ 2424-92-2 ]
  • 1-Imidazol-1-yl-21-[4-((1E,3E,5E)-6-phenyl-hexa-1,3,5-trienyl)-phenyl]-henicosan-1-one [ No CAS ]
  • 82
  • [ 629-05-0 ]
  • [ 2424-92-2 ]
  • 83
  • [ 1642-49-5 ]
  • [ 2424-92-2 ]
  • 84
  • [ 1501-26-4 ]
  • [ 2424-92-2 ]
  • 86
  • [ 856363-48-9 ]
  • [ 2424-92-2 ]
Same Skeleton Products
Historical Records