CAS RN: 394730-71-3
Pyriprole
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260611 | 100mg | Out of stock | Inquiry |
- Product code: starshine_CAS394730-71-3
- Purity/Analytical Methods: >99.0%
394730-71-3 / 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(difluoromethylsulfanyl)-5-(pyridin-2-ylmethylamino)pyrazole-3-carbonitrile
Basic Information
CAS
394730-71-3
Multi CAS
Yes
Molecular Formula
C18H10CL2F5N5S
Molecular Weight
494.300000
Exact Mass
492.995413
InChI
InChI=1S/C18H10Cl2F5N5S/c19-11-5-9(18(23,24)25)6-12(20)14(11)30-16(28-8-10-3-1-2-4-27-10)15(31-17(21)22)13(7-26)29-30/h1-6,17,28H,8H2
InChIKey
MWMQNVGAHVXSPE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
17
Fraction Csp3
0.17
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
1
Molar refractivity
106.73
TPSA
66.53
LogP / Solubility
WLOGP
6.39
MLOGP
5.66
XLogP3
6.3
Consensus LogP
6.12
Log S (ESOL)
-6.94
Class (ESOL)
Insoluble
Log S (Ali)
-8.23
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.9
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
(2S,4S)-BOC-4-CYCLOHEXYL-PYRROLIDINE-2-CARBOXYLIC ACID
- CAS RN: 394734-77-1
- Product Code: starshine_CAS394734-77-1
- Purity/Analytical method: >99.0%
-
-
-
[1-(CyclobutylMethyl)-2-(MethoxyMethylaMino)-2-oxoethyl]-carbaMic Acid 1,1-DiMethylethyl Ester
- CAS RN: 394735-18-3
- Product Code: SSC-147127
-
tert-butyl (1-cyclobutyl-3-oxopropan-2-yl)carbaMate
- CAS RN: 394735-19-4
- Product Code: SSC-147128
-
(1R,2S,5S)-Methyl 3-((S)-2-(3-(t-butyl)ureido)-3,3-diMethyl butanoyl)-6,6-diMethyl-3-azabicyclo [3.1.0]hexane-2-carboxylate
- CAS RN: 394735-26-3
- Product Code: SSC-147130
![CAS 394735-18-3 [1-(CyclobutylMethyl)-2-(MethoxyMethylaMino)-2-oxoethyl]-carbaMic Acid 1,1-DiMethylethyl Ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/394735-18-3.gif)
![CAS 394735-26-3 (1R,2S,5S)-Methyl 3-((S)-2-(3-(t-butyl)ureido)-3,3-diMethyl butanoyl)-6,6-diMethyl-3-azabicyclo [3.1.0]hexane-2-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/394735-26-3.gif)