![CAS 1196507-57-9 4-Chloro-1-(phenylsulfonyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1196507-57-9.gif)
CAS RN: 1196507-57-9
4-Chloro-1-(phenylsulfonyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
- Product code: SSC-020335
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1196507-57-9 / 1-(benzenesulfonyl)-4-chloro-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine
4-Chloro-1-(phenylsulfonyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine | MFCD15529389 | 1-(benzenesulfonyl)-4-chloro-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine
Basic Information
CAS
1196507-57-9
Multi CAS
No
Molecular Formula
C14H8ClF3N2O2S
Molecular Weight
360.700000
Exact Mass
359.994711
SMILES
C1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C(C(=CN=C32)C(F)(F)F)Cl
InChI
InChI=1S/C14H8ClF3N2O2S/c15-12-10-6-7-20(13(10)19-8-11(12)14(16,17)18)23(21,22)9-4-2-1-3-5-9/h1-8H
InChIKey
FDWUFDIEKNWJQX-UHFFFAOYSA-N
Synonyms
4-Chloro-1-(phenylsulfonyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
MFCD15529389
1-(benzenesulfonyl)-4-chloro-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine
1H-Pyrrolo[2,3-b]pyridine, 4-chloro-1-(phenylsulfonyl)-5-(trifluoromethyl)-
SCHEMBL1467852
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
78.77
TPSA
51.96
LogP / Solubility
WLOGP
3.95
MLOGP
3.49
XLogP3
4
Consensus LogP
3.81
Log S (ESOL)
-4.91
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.52
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)
-2.12
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 1196507-58-0 4-Chloro-5-(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-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
- CAS RN: 1196507-58-0
- Product Code: SSC-020336
-
-
AZD-7594
- CAS RN: 1196509-60-0
- Product Code: starshine_CAS1196509-60-0
- Purity/Analytical method: >99.0%
-
(R)-N-(4-(3-aminopiperidin-1-yl)-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)cyclopropanecarboxamide
- CAS RN: 1196541-47-5
- Product Code: SSC-020340
-
5-Iodo-7-(phenylsulfonyl)-7H-Pyrrolo[2,3-d]pyrimidine
- CAS RN: 1196662-07-3
- Product Code: SSC-020341
-
4-Amino-2-bromo-5-fluoro-benzoic acid methyl ester
- CAS RN: 1196693-85-2
- Product Code: SSC-020343
![CAS 1196507-58-0 4-Chloro-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1196507-58-0.gif)
![CAS 1196507-66-0 4,5-Difluoro-1H-pyrrolo[2,3-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1196507-66-0.gif)
![CAS 1196541-47-5 (R)-N-(4-(3-aminopiperidin-1-yl)-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)cyclopropanecarboxamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1196541-47-5.gif)
![CAS 1196662-07-3 5-Iodo-7-(phenylsulfonyl)-7H-Pyrrolo[2,3-d]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1196662-07-3.gif)
