C16H9ClF3N7S
TL;DR: C16H9ClF3N7S (CAS 1025166-91-9) is a chemical compound with molecular formula C16H9ClF3N7S and molecular weight 423.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]anilino]-2-(2H-tetrazol-5-yl)prop-2-enenitrile
Also Known As: 2-(2H-2,3,4,5-TETRAAZOLYL)-3-((4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYLTHIO))PHENYL)AMINO)PROP-2-ENENITRILE, 3-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]sulfanyl]anilino]-2-(2H-tetrazol-5-yl)prop-2-enenitrile, 3-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylanilino]-2-(2H-tetrazol-5-yl)prop-2-enenitrile, C16H9ClF3N7S
| Molecular Formula | C16H9ClF3N7S |
|---|---|
| Molecular Weight | 423.03 g/mol |
| LogP | 4.39468 |
| Topological Polar Surface Area | 103.17 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 423.02808 |
| Heavy Atoms | 28 |
| Complexity | 1027.8817 |
Chemical Identifiers
| CAS Number | 1025166-91-9 |
|---|---|
| SMILES | C1=CC(=CC=C1NC=C(C#N)C2=NNN=N2)SC3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
C16H9ClF3N7S (CAS 1025166-91-9), with molecular formula C16H9ClF3N7S and molecular weight 423.03 g/mol. IUPAC: 3-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]anilino]-2-(2H-tetrazol-5-yl)prop-2-enenitrile.
Chemical Property Profile of C16H9ClF3N7S
Property Insights of C16H9ClF3N7S
The XLogP value of 4.39468 indicates that C16H9ClF3N7S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.17 Ų falls within the moderate polarity range, balancing permeability and solubility for C16H9ClF3N7S. Following Lipinski's Rule of Five, C16H9ClF3N7S has 2 hydrogen bond donor(s) and 7 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 C16H9ClF3N7S?
The CAS number of C16H9ClF3N7S is 1025166-91-9.
What is the molecular formula of C16H9ClF3N7S?
The molecular formula of C16H9ClF3N7S is C16H9ClF3N7S.
What is the molecular weight of C16H9ClF3N7S?
The molecular weight of C16H9ClF3N7S is 423.03 g/mol.
Where can I buy C16H9ClF3N7S?
You can request a quote for C16H9ClF3N7S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C16H9ClF3N7S?
Yes, KEHONG BIO provides custom synthesis services for C16H9ClF3N7S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.