![CAS 1207625-37-3 1H-Pyrrolo[2,3-b]pyridine, 5-broMo-1-[(4-Methylphenyl)sulfonyl]-3-(trifluoroMethyl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1207625-37-3.gif)
CAS RN: 1207625-37-3
1H-Pyrrolo[2,3-b]pyridine, 5-broMo-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.20250806 | 50mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1207625-37-3
- Purity/Analytical Methods: >99.0%
1207625-37-3 / 5-bromo-1-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)pyrrolo[2,3-b]pyridine
5-Bromo-1-tosyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine | C15H10BrF3N2O2S | 5-bromo-1-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)pyrrolo[2,3-b]pyridine
Basic Information
CAS
1207625-37-3
Multi CAS
No
Molecular Formula
C15H10BrF3N2O2S
Molecular Weight
419.200000
Exact Mass
417.959850
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2N=CC(=C3)Br)C(F)(F)F
InChI
InChI=1S/C15H10BrF3N2O2S/c1-9-2-4-11(5-3-9)24(22,23)21-8-13(15(17,18)19)12-6-10(16)7-20-14(12)21/h2-8H,1H3
InChIKey
CEDHAEPABHHQBI-UHFFFAOYSA-N
Synonyms
5-Bromo-1-tosyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
C15H10BrF3N2O2S
5-bromo-1-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)pyrrolo[2,3-b]pyridine
1H-Pyrrolo[2,3-b]pyridine, 5-bromo-1-[(4-methylphenyl)sulfonyl]-3-(trifluoromethyl)-
5-Bromo-1-tosyl-3-(trifluoromethyl)-1H-pyrrolo[2 pound not3-b]pyridine
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
86.2
TPSA
51.96
LogP / Solubility
WLOGP
4.36
MLOGP
3.87
XLogP3
4.4
Consensus LogP
4.21
Log S (ESOL)
-5.52
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.15
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.25
Class (SILICOS-IT)
Insoluble
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)
-2.18
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
-
4-Methyl-7-azaindole-5-boronic acid pinacol ester
- CAS RN: 1207626-84-3
- Product Code: starshine_CAS1207626-84-3
- Purity/Analytical method: >99.0%
-
4,4-di-2-ethylhexyl-dithieno[3,2-b:2′,3′-d]silole
- CAS RN: 1207627-85-7
- Product Code: starshine_CAS1207627-85-7
- Purity/Analytical method: >99.0%
-
GSK2245035
- CAS RN: 1207629-49-9
- Product Code: starshine_CAS1207629-49-9
- Purity/Analytical method: >99.0%
-
2-Chloro-6-fluoro-4-(trifluoromethyl)pyridine
- CAS RN: 1207665-87-9
- Product Code: SSC-022011
-
-
3,2′-Epilarixinol
- CAS RN: 1207671-28-0
- Product Code: starshine_CAS1207671-28-0
- Purity/Analytical method: >99.0%
![CAS 1207627-85-7 4,4-di-2-ethylhexyl-dithieno[3,2-b:2′,3′-d]silole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1207627-85-7.gif)
