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[ CAS No. 129850-62-0 ]

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Chemical Structure| 129850-62-0
Chemical Structure| 129850-62-0
Structure of 129850-62-0 * Storage: {[proInfo.prStorage]}
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Product Details of [ 129850-62-0 ]

CAS No. :129850-62-0 MDL No. :MFCD07781256
Formula : C19H37NO4 Boiling Point : -
Linear Structure Formula :- InChI Key :N/A
M.W :343.50 g/mol Pubchem ID :-
Synonyms :

Calculated chemistry of of [ 129850-62-0 ]

Physicochemical Properties

Num. heavy atoms : 24
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.89
Num. rotatable bonds : 16
Num. H-bond acceptors : 4.0
Num. H-bond donors : 2.0
Molar Refractivity : 99.73
TPSA : 75.63 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -3.65 cm/s

Lipophilicity

Log Po/w (iLOGP) : 4.18
Log Po/w (XLOGP3) : 6.68
Log Po/w (WLOGP) : 5.28
Log Po/w (MLOGP) : 3.46
Log Po/w (SILICOS-IT) : 4.51
Consensus Log Po/w : 4.82

Druglikeness

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

Water Solubility

Log S (ESOL) : -5.12
Solubility : 0.00259 mg/ml ; 0.00000755 mol/l
Class : Moderately soluble
Log S (Ali) : -8.07
Solubility : 0.00000292 mg/ml ; 0.0000000085 mol/l
Class : Poorly soluble
Log S (SILICOS-IT) : -5.06
Solubility : 0.00301 mg/ml ; 0.00000875 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 3.73

Safety of [ 129850-62-0 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 129850-62-0 ]

* 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 [ 129850-62-0 ]

[ 129850-62-0 ] Synthesis Path-Downstream   1~32

  • 2
  • [ 30516-87-1 ]
  • [ 129850-62-0 ]
  • 3'-azido-5'-O-<2-(tert-butoxycarbonylamino)tetradecanoyl>-3'-deoxythymidine [ No CAS ]
  • 3
  • [ 129938-56-3 ]
  • [ 129850-62-0 ]
  • [ 129850-66-4 ]
  • 4
  • [ 129850-62-0 ]
  • [ 129850-69-7 ]
  • [ 129850-75-5 ]
  • 5
  • [ 129850-62-0 ]
  • 2,6-Bis-tert-butoxycarbonylamino-hexanoic acid [ No CAS ]
  • 2-[2-(2-{(S)-2,6-Bis-[(S)-2,6-bis-((S)-2,6-diamino-hexanoylamino)-hexanoylamino]-hexanoylamino}-tetradecanoylamino)-tetradecanoylamino]-tetradecanoic acid amide [ No CAS ]
  • 6
  • [ 129850-62-0 ]
  • 2,6-Bis-tert-butoxycarbonylamino-hexanoic acid [ No CAS ]
  • 2-{2-[2-(2,6-Diamino-hexanoylamino)-tetradecanoylamino]-tetradecanoylamino}-tetradecanoic acid amide [ No CAS ]
  • 7
  • [ 129850-62-0 ]
  • 2,6-Bis-tert-butoxycarbonylamino-hexanoic acid [ No CAS ]
  • 2-(2-{2-[(S)-2,6-Bis-((S)-2,6-diamino-hexanoylamino)-hexanoylamino]-tetradecanoylamino}-tetradecanoylamino)-tetradecanoic acid amide [ No CAS ]
  • 8
  • [ 129850-62-0 ]
  • [ 142656-59-5 ]
  • 9
  • [ 129850-62-0 ]
  • [ 57-27-2 ]
  • [ 139260-77-8 ]
  • 10
  • [ 53266-94-7 ]
  • [ 129850-62-0 ]
  • [ 157849-09-7 ]
  • 11
  • [ 129850-62-0 ]
  • [ 210576-15-1 ]
  • (+/-)-4,4a,5,6,7,8-hexahydro-3-[2-(tert-butoxycarbonylamino)-tetradecanoyloxy]-1,4a-dimethyl-2(3H)-naphthalenone [ No CAS ]
  • 12
  • [ 129850-62-0 ]
  • [ 26121-57-3 ]
  • 2-tert-Butoxycarbonylamino-tetradecanoic acid (3aR,6aR,7aS,8S,11aS,11bS,11cS)-2-methoxy-3,8,11a,11c-tetramethyl-1,5,11-trioxo-1,3a,4,5,6a,7,7a,8,11,11a,11b,11c-dodecahydro-6-oxa-benzo[de]anthracen-10-yl ester [ No CAS ]
  • 13
  • [ 24424-99-5 ]
  • 2-amino-D,L-tetradecanoic acid hydrochloride [ No CAS ]
  • [ 129850-62-0 ]
  • 14
  • [ 129850-62-0 ]
  • [ 100-44-7 ]
  • [ 669011-08-9 ]
  • 15
  • [ 129850-62-0 ]
  • [ 1986-47-6 ]
  • [1-((1R,2S)-2-Phenyl-cyclopropylcarbamoyl)-tridecyl]-carbamic acid tert-butyl ester [ No CAS ]
  • 16
  • [ 4530-20-5 ]
  • [ 2483-46-7 ]
  • [ 33640-54-9 ]
  • [ 129850-62-0 ]
  • 2-{(S)-2,6-Bis-[(S)-2,6-bis-((S)-2,6-diamino-hexanoylamino)-hexanoylamino]-hexanoylamino}-tetradecanoic acid [1-(carbamoylmethyl-carbamoyl)-tridecyl]-amide [ No CAS ]
  • 17
  • [ 4530-20-5 ]
  • [ 2483-46-7 ]
  • [ 13836-37-8 ]
  • [ 129850-62-0 ]
  • 2-{(S)-2,6-Bis-[(S)-2,6-bis-((S)-2-amino-5-guanidino-pentanoylamino)-hexanoylamino]-hexanoylamino}-tetradecanoic acid [1-(carbamoylmethyl-carbamoyl)-tridecyl]-amide [ No CAS ]
  • 18
  • [ 73821-97-3 ]
  • [ 129850-62-0 ]
  • [ 47355-10-2 ]
  • HOCOCH2CH2CHNHCOCH(CH2)11CH3NHCOCHNH2(CH2)11CH3CONHCHCH2C8H6NCONH2 [ No CAS ]
  • 19
  • [ 71989-18-9 ]
  • [ 35737-15-6 ]
  • [ 129850-62-0 ]
  • HOCOCH2CH2CHNHCOCHNH2(CH2)11CH3CONHCHCH2C8H6NCONH2 [ No CAS ]
  • 20
  • [ 129850-62-0 ]
  • 2-amino-N-(2-phenylcyclopropyl)tetradecanamide [ No CAS ]
  • 21
  • [ 129850-62-0 ]
  • 1-D,L-(benzyloxycarbonyl)tridecylammonium trifluoroacetate [ No CAS ]
  • 24
  • [ 129850-62-0 ]
  • 2-tert-Butoxycarbonylamino-tetradecanoic acid (3aR,6aR,7aS,8S,11aS,11bS,11cS)-5-hydroxy-2-methoxy-3,8,11a,11c-tetramethyl-1,11-dioxo-1,3a,4,5,6a,7,7a,8,11,11a,11b,11c-dodecahydro-6-oxa-benzo[de]anthracen-10-yl ester [ No CAS ]
  • 25
  • [ 129850-62-0 ]
  • [ 157849-10-0 ]
  • 26
  • [ 129850-62-0 ]
  • (6R,7R)-7-<2-<(2R,2S)-2-aminotetradecanoylamino>(thiazol-4-ylacetamido)>-3-carbamoyloxymethyl-2,3-didehydro-8-oxo-5-thia-1-azabicyclo<4.2.0>octane-2-carboxylic acid [ No CAS ]
  • 27
  • [ 129850-62-0 ]
  • (6R,7R)-diphenylmethyl 7-<2-<(2R,2S)-2-(tertbutoxycarbamido)tetradecanamido>(thiazol-4-ylacetamido)>-3-carbamoyloxymethyl-2,3-didehydro-8-oxo-5-thia-1-azabicyclo<4.2.0>octane-2-carboxylate [ No CAS ]
  • 28
  • [ 129850-62-0 ]
  • [ 13880-34-7 ]
  • 29
  • [ 129850-62-0 ]
  • [ 142656-74-4 ]
  • 30
  • [ 129850-62-0 ]
  • [ 142656-70-0 ]
  • 31
  • [ 129850-62-0 ]
  • [ 142656-68-6 ]
  • 32
  • [ 129850-62-0 ]
  • [ 142656-66-4 ]
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[ 129850-62-0 ]

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