Home Cart 0 Sign in  
X

[ CAS No. 95182-37-9 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
HazMat Fee +

There will be a HazMat fee per item when shipping a dangerous goods. The HazMat fee will be charged to your UPS/DHL/FedEx collect account or added to the invoice unless the package is shipped via Ground service. Ship by air in Excepted Quantity (each bottle), which is up to 1g/1mL for class 6.1 packing group I or II, and up to 25g/25ml for all other HazMat items.

Type HazMat fee for 500 gram (Estimated)
Excepted Quantity USD 0.00
Limited Quantity USD 15-60
Inaccessible (Haz class 6.1), Domestic USD 80+
Inaccessible (Haz class 6.1), International USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic USD 100+
Accessible (Haz class 3, 4, 5 or 8), International USD 200+
3d Animation Molecule Structure of 95182-37-9
Chemical Structure| 95182-37-9
Chemical Structure| 95182-37-9
Structure of 95182-37-9 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

* Shipping: {[proInfo.prShipping]}

Quality Control of [ 95182-37-9 ]

Related Doc. of [ 95182-37-9 ]

Alternatived Products of [ 95182-37-9 ]
Product Citations

Product Details of [ 95182-37-9 ]

CAS No. :95182-37-9 MDL No. :MFCD09055389
Formula : C10H13N3O Boiling Point : -
Linear Structure Formula :- InChI Key :KJWAFEWCKMCUMR-UHFFFAOYSA-N
M.W : 191.23 Pubchem ID :22346446
Synonyms :

Calculated chemistry of [ 95182-37-9 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.3
Num. rotatable bonds : 1
Num. H-bond acceptors : 1.0
Num. H-bond donors : 1.0
Molar Refractivity : 62.89
TPSA : 49.57 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -7.19 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.64
Log Po/w (XLOGP3) : 0.39
Log Po/w (WLOGP) : 0.39
Log Po/w (MLOGP) : 1.1
Log Po/w (SILICOS-IT) : 0.23
Consensus Log Po/w : 0.75

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -1.52
Solubility : 5.74 mg/ml ; 0.03 mol/l
Class : Very soluble
Log S (Ali) : -1.0
Solubility : 19.3 mg/ml ; 0.101 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.82
Solubility : 2.89 mg/ml ; 0.0151 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 1.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.74

Safety of [ 95182-37-9 ]

Signal Word:Danger Class:8
Precautionary Statements:P280-P305+P351+P338-P310 UN#:3259
Hazard Statements:H314 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 95182-37-9 ]

* 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 [ 95182-37-9 ]

[ 95182-37-9 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 95182-37-9 ]
  • [ 1448-52-8 ]
  • [ 71-36-3 ]
  • [ 95182-43-7 ]
YieldReaction ConditionsOperation in experiment
17.5 parts (73%) With sodium bicarbonate In water VIII EXAMPLE VIII EXAMPLE VIII A mixture of 16.5 parts of N,N-bis(2-chloroethyl)-4-methoxybenzenamine, 12.5 parts of 1-(4-aminophenyl)-3-methyl-2-imidazolidinone, 11 parts of sodium hydrogen carbonate and 240 parts of 1-butanol was stirred and refluxed for 24 hours. After cooling, 100 parts of water were added and the whole was stirred. The precipitated product was filtered off, washed with water and with 1-butanol and dried, yielding 17.5 parts (73%) of 1-[4-[4-(4-methoxyphenyl)-1-piperazinyl]phenyl]-3-methyl-2-imidazolidinone; mp. 240.9°-241.0° C. (28).
  • 2
  • [ 694-32-6 ]
  • [ 106-40-1 ]
  • [ 95182-37-9 ]
YieldReaction ConditionsOperation in experiment
53% With copper(l) iodide; potassium carbonate; N,N`-dimethylethylenediamine; In toluene; at 140℃; for 2h;Microwave irradiation; C-3) 1 -(4- Aminophenyl)-3 -methyl- imidazo lidin-2-one200 mg (1.16 mmol, 1 eq) 4-bromoaniline, 122 mg (1.22 mmol, 1.05 eq) l-methyl-2- imidazolidinone as well as 22 mg copper(I)-iodide (0.12 mmol, 0.1 eq) are suspended in 2 mL toluene. After the addition of 24.7 muL (0.23 mmol, 0.2 eq) lambda^lambdaT-dimethyl- ethylenediamine and 321 mg (2.33 mmol, 2 eq) potassium carbonate the reaction mixture is heated in the microwave for 2 h at 1400C with stirring. After cooling, 2 mL MeOH are added, the homogeneous mixture is mixed with water and extracted 5 times with 30 mL EE. The combined organic phases are dried and all the volatile constituents are eliminated in vacuo. Purification by column chromatography (normal phase, silica gel, DCM/MeOH/NH3 100/0/ auf 80/20/2) yields 118 mg (0.62 mmol, 53 %) C-3. Rf = 0.20 (silica gel, DCM/MeOH/NH3 95/5/0.5) MS-ESI+: 192 (M+H)+
  • 3
  • [ 95182-37-9 ]
  • [ 1036488-09-1 ]
  • [ 1036649-29-2 ]
YieldReaction ConditionsOperation in experiment
With hydrogenchloride In 1,4-dioxane; 1-methyl-pyrrolidin-2-one at 100℃; for 0.5h; Microwave irradiation; 13 Example 13( 1 S ,2R)-2- (2- [4-(3-Methyl-2-oxo-imidazo lidin- 1 -yl)-phenylamino] -5 -trifluoromethyl- pyrimidin-4-ylamino I -cyclopentanecarboxylic acid-isopropylamide 50 mg (0.14 mmol, 1 eq) A-2a are suspended with 41 mg (0.21 mmol, 1.5 eq) C-3 in a little NMP and the reaction mixture is combined with 7 μL (0.03 mmol, 0.2 eq, 4 M in dioxane) hydrochloric acid. It is heated in the microwave for 30 min at 1000C with stirring, then the reaction mixture is diluted with MeOH, poured into 25 mL water and concentrated in vacuo. The precipitate is filtered off and dried in vacuo. After the addition of 1 eq HCl (aq) the mixture is lyophilised and 66 mg (0.12 mmol, 85%) of the hydrochloride of compound 13 are obtained. RT = 1.82 min MS-ESI+: 506 (M+H)+
Recommend Products
Same Skeleton Products
Historical Records

Related Functional Groups of
[ 95182-37-9 ]

Aryls

Chemical Structure| 1848-69-7

[ 1848-69-7 ]

1-Phenylimidazolidin-2-one

Similarity: 1.00

Chemical Structure| 938459-14-4

[ 938459-14-4 ]

1-(3-Aminophenyl)imidazolidin-2-one

Similarity: 0.98

Chemical Structure| 517918-82-0

[ 517918-82-0 ]

1-(3-Aminophenyl)-3-methylimidazolidin-2-one

Similarity: 0.98

Chemical Structure| 933690-87-0

[ 933690-87-0 ]

1-(4-Hydrazinylphenyl)imidazolidin-2-one

Similarity: 0.93

Chemical Structure| 946386-18-1

[ 946386-18-1 ]

1-(2-Aminophenyl)imidazolidin-2-one

Similarity: 0.93

Amides

Chemical Structure| 1848-69-7

[ 1848-69-7 ]

1-Phenylimidazolidin-2-one

Similarity: 1.00

Chemical Structure| 938459-14-4

[ 938459-14-4 ]

1-(3-Aminophenyl)imidazolidin-2-one

Similarity: 0.98

Chemical Structure| 517918-82-0

[ 517918-82-0 ]

1-(3-Aminophenyl)-3-methylimidazolidin-2-one

Similarity: 0.98

Chemical Structure| 933690-87-0

[ 933690-87-0 ]

1-(4-Hydrazinylphenyl)imidazolidin-2-one

Similarity: 0.93

Chemical Structure| 946386-18-1

[ 946386-18-1 ]

1-(2-Aminophenyl)imidazolidin-2-one

Similarity: 0.93

Amines

Chemical Structure| 938459-14-4

[ 938459-14-4 ]

1-(3-Aminophenyl)imidazolidin-2-one

Similarity: 0.98

Chemical Structure| 517918-82-0

[ 517918-82-0 ]

1-(3-Aminophenyl)-3-methylimidazolidin-2-one

Similarity: 0.98

Chemical Structure| 933690-87-0

[ 933690-87-0 ]

1-(4-Hydrazinylphenyl)imidazolidin-2-one

Similarity: 0.93

Chemical Structure| 946386-18-1

[ 946386-18-1 ]

1-(2-Aminophenyl)imidazolidin-2-one

Similarity: 0.93

Related Parent Nucleus of
[ 95182-37-9 ]

Imidazolidines

Chemical Structure| 1848-69-7

[ 1848-69-7 ]

1-Phenylimidazolidin-2-one

Similarity: 1.00

Chemical Structure| 938459-14-4

[ 938459-14-4 ]

1-(3-Aminophenyl)imidazolidin-2-one

Similarity: 0.98

Chemical Structure| 517918-82-0

[ 517918-82-0 ]

1-(3-Aminophenyl)-3-methylimidazolidin-2-one

Similarity: 0.98

Chemical Structure| 946386-18-1

[ 946386-18-1 ]

1-(2-Aminophenyl)imidazolidin-2-one

Similarity: 0.93

Chemical Structure| 89518-36-5

[ 89518-36-5 ]

N-(4-(2-Oxoimidazolidin-1-yl)phenyl)acetamide

Similarity: 0.93