C18H14ClN7OS
TL;DR: C18H14ClN7OS (CAS 879772-49-3) is a chemical compound with molecular formula C18H14ClN7OS and molecular weight 411.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-quinoxalin-6-ylacetamide
Also Known As: 2-{[1-(3-chloro-4-methylphenyl)-1H-tetrazol-5-yl]sulfanyl}-N-(quinoxalin-6-yl)acetamide, 2-((1-(3-chloro-4-methylphenyl)-1H-tetrazol-5-yl)thio)-N-(quinoxalin-6-yl)acetamide, 2-[1-(3-chloro-4-methylphenyl)(1,2,3,4-tetraazol-5-ylthio)]-N-quinoxalin-6-yla cetamide, 2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-quinoxalin-6-ylacetamide
| Molecular Formula | C18H14ClN7OS |
|---|---|
| Molecular Weight | 411.07 g/mol |
| LogP | 3.29812 |
| Topological Polar Surface Area | 98.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.0669 |
| Heavy Atoms | 28 |
| Complexity | 1163.6053 |
Chemical Identifiers
| CAS Number | 879772-49-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=CC4=NC=CN=C4C=C3)Cl |
Product Overview
C18H14ClN7OS (CAS 879772-49-3), with molecular formula C18H14ClN7OS and molecular weight 411.07 g/mol. IUPAC: 2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-quinoxalin-6-ylacetamide.
Chemical Property Profile of C18H14ClN7OS
Property Insights of C18H14ClN7OS
The XLogP value of 3.29812 indicates that C18H14ClN7OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.48 Ų falls within the moderate polarity range, balancing permeability and solubility for C18H14ClN7OS. Following Lipinski's Rule of Five, C18H14ClN7OS has 1 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 C18H14ClN7OS?
The CAS number of C18H14ClN7OS is 879772-49-3.
What is the molecular formula of C18H14ClN7OS?
The molecular formula of C18H14ClN7OS is C18H14ClN7OS.
What is the molecular weight of C18H14ClN7OS?
The molecular weight of C18H14ClN7OS is 411.07 g/mol.
Where can I buy C18H14ClN7OS?
You can request a quote for C18H14ClN7OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H14ClN7OS?
Yes, KEHONG BIO provides custom synthesis services for C18H14ClN7OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.