![CAS 869335-74-0 1H-Pyrrolo[2,3-b]pyridine, 4-chloro-1-[(4-methylphenyl)sulfonyl]-3-(trifluoromethyl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/869335-74-0.gif)
CAS RN: 869335-74-0
1H-Pyrrolo[2,3-b]pyridine, 4-chloro-1-[(4-methylphenyl)sulfonyl]-3-(trifluoromethyl)-
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251104 | 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS869335-74-0
- Purity/Analytical Methods: >99.0%
869335-74-0 / 4-chloro-1-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)pyrrolo[2,3-b]pyridine
Basic Information
CAS
869335-74-0
Multi CAS
Yes
Molecular Formula
C15H10CLF3N2O2S
Molecular Weight
374.800000
Exact Mass
374.010361
InChI
InChI=1S/C15H10ClF3N2O2S/c1-9-2-4-10(5-3-9)24(22,23)21-8-11(15(17,18)19)13-12(16)6-7-20-14(13)21/h2-8H,1H3
InChIKey
GGLIHKGRNVVJOO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
15
Fraction Csp3
0.13
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
83.51
TPSA
51.96
LogP / Solubility
WLOGP
4.25
MLOGP
3.76
XLogP3
4.4
Consensus LogP
4.14
Log S (ESOL)
-5.17
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.7
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.87
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
![CAS 869335-75-1 4-Chloro-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
4-Chloro-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
- CAS RN: 869335-75-1
- Product Code: SSC-196272
-
-
Methyl 5-broMo-2-chloro-1,6-dihydro-1-Methyl-6-oxopyridine-3-carboxylate
- CAS RN: 869357-63-1
- Product Code: SSC-196275
-
ARRY-424704, ARRY-704
- CAS RN: 869357-68-6
- Product Code: starshine_CAS869357-68-6
- Purity/Analytical method: >99.0%
-
ETHYL 8-METHOXY-2-OXO-2,3,4,5-TETRAHYDRO-1H-BENZO[B]AZEPINE-4-CARBOXYLATE
- CAS RN: 869363-13-3
- Product Code: starshine_CAS869363-13-3
- Purity/Analytical method: >99.0%
-
(5-CHLORO-2-IODOPHENYL) 2,6-DIFLUOROPHENYL METHANO
- CAS RN: 869365-97-9
- Product Code: SSC-196276
![CAS 869335-75-1 4-Chloro-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/869335-75-1.gif)
![CAS 869363-13-3 ETHYL 8-METHOXY-2-OXO-2,3,4,5-TETRAHYDRO-1H-BENZO[B]AZEPINE-4-CARBOXYLATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/869363-13-3.gif)
