C16H9ClF6N4OS
TL;DR: C16H9ClF6N4OS (CAS 861633-83-2) is a chemical compound with molecular formula C16H9ClF6N4OS and molecular weight 454.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3,5-bis(trifluoromethyl)phenyl]-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetamide
Also Known As: N-[3,5-bis(trifluoromethyl)phenyl]-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetamide, N-(3,5-bis(trifluoromethyl)phenyl)-2-((6-chloro-3H-imidazo[4,5-b]pyridin-2-yl)thio)acetamide
| Molecular Formula | C16H9ClF6N4OS |
|---|---|
| Molecular Weight | 454.01 g/mol |
| LogP | 5.3797 |
| Topological Polar Surface Area | 70.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 454.00897 |
| Heavy Atoms | 29 |
| Complexity | 1033.4751 |
Chemical Identifiers
| CAS Number | 861633-83-2 |
|---|---|
| SMILES | C1=C(C=C(C=C1C(F)(F)F)NC(=O)CSC2=NC3=C(N2)C=C(C=N3)Cl)C(F)(F)F |
Product Overview
C16H9ClF6N4OS (CAS 861633-83-2), with molecular formula C16H9ClF6N4OS and molecular weight 454.01 g/mol. IUPAC: N-[3,5-bis(trifluoromethyl)phenyl]-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetamide.
Chemical Property Profile of C16H9ClF6N4OS
Property Insights of C16H9ClF6N4OS
The XLogP value of 5.3797 indicates that C16H9ClF6N4OS 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 C16H9ClF6N4OS. Following Lipinski's Rule of Five, C16H9ClF6N4OS has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C16H9ClF6N4OS?
The CAS number of C16H9ClF6N4OS is 861633-83-2.
What is the molecular formula of C16H9ClF6N4OS?
The molecular formula of C16H9ClF6N4OS is C16H9ClF6N4OS.
What is the molecular weight of C16H9ClF6N4OS?
The molecular weight of C16H9ClF6N4OS is 454.01 g/mol.
Where can I buy C16H9ClF6N4OS?
You can request a quote for C16H9ClF6N4OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C16H9ClF6N4OS?
Yes, KEHONG BIO provides custom synthesis services for C16H9ClF6N4OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.