C14H9BrF2N4OS
TL;DR: C14H9BrF2N4OS (CAS 862129-21-3) is a chemical compound with molecular formula C14H9BrF2N4OS and molecular weight 397.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3,4-difluorophenyl)acetamide
Also Known As: 2-((6-bromo-3H-imidazo[4,5-b]pyridin-2-yl)thio)-N-(3,4-difluorophenyl)acetamide, 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3,4-difluorophenyl)acetamide, 2-[(6-bromo-3H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3,4-difluorophenyl)acetamide
| Molecular Formula | C14H9BrF2N4OS |
|---|---|
| Molecular Weight | 397.96 g/mol |
| LogP | 3.7294 |
| Topological Polar Surface Area | 70.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 397.96484 |
| Heavy Atoms | 23 |
| Complexity | 886.3398 |
Chemical Identifiers
| CAS Number | 862129-21-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1NC(=O)CSC2=NC3=C(N2)C=C(C=N3)Br)F)F |
Product Overview
C14H9BrF2N4OS (CAS 862129-21-3), with molecular formula C14H9BrF2N4OS and molecular weight 397.96 g/mol. IUPAC: 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3,4-difluorophenyl)acetamide.
Chemical Property Profile of C14H9BrF2N4OS
Property Insights of C14H9BrF2N4OS
The XLogP value of 3.7294 indicates that C14H9BrF2N4OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.67 Ų falls within the moderate polarity range, balancing permeability and solubility for C14H9BrF2N4OS. Following Lipinski's Rule of Five, C14H9BrF2N4OS has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C14H9BrF2N4OS?
The CAS number of C14H9BrF2N4OS is 862129-21-3.
What is the molecular formula of C14H9BrF2N4OS?
The molecular formula of C14H9BrF2N4OS is C14H9BrF2N4OS.
What is the molecular weight of C14H9BrF2N4OS?
The molecular weight of C14H9BrF2N4OS is 397.96 g/mol.
Where can I buy C14H9BrF2N4OS?
You can request a quote for C14H9BrF2N4OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C14H9BrF2N4OS?
Yes, KEHONG BIO provides custom synthesis services for C14H9BrF2N4OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.