C16H9ClN6S
TL;DR: C16H9ClN6S (CAS 845983-26-8) is a chemical compound with molecular formula C16H9ClN6S and molecular weight 352.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-(3-chlorophenyl)-4-thiophen-2-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
Also Known As: 7-(3-chlorophenyl)-2-(thiophen-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
| Molecular Formula | C16H9ClN6S |
|---|---|
| Molecular Weight | 352.03 g/mol |
| LogP | 3.8451 |
| Topological Polar Surface Area | 60.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 352.0298 |
| Heavy Atoms | 24 |
| Complexity | 1174.1809 |
Chemical Identifiers
| CAS Number | 845983-26-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)N2C3=C(C=N2)C4=NC(=NN4C=N3)C5=CC=CS5 |
Product Overview
C16H9ClN6S (CAS 845983-26-8), with molecular formula C16H9ClN6S and molecular weight 352.03 g/mol. IUPAC: 10-(3-chlorophenyl)-4-thiophen-2-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.
Chemical Property Profile of C16H9ClN6S
Property Insights of C16H9ClN6S
The XLogP value of 3.8451 indicates that C16H9ClN6S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.9 Ų falls within the moderate polarity range, balancing permeability and solubility for C16H9ClN6S. Following Lipinski's Rule of Five, C16H9ClN6S has 0 hydrogen bond donor(s) and 5 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 C16H9ClN6S?
The CAS number of C16H9ClN6S is 845983-26-8.
What is the molecular formula of C16H9ClN6S?
The molecular formula of C16H9ClN6S is C16H9ClN6S.
What is the molecular weight of C16H9ClN6S?
The molecular weight of C16H9ClN6S is 352.03 g/mol.
Where can I buy C16H9ClN6S?
You can request a quote for C16H9ClN6S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C16H9ClN6S?
Yes, KEHONG BIO provides custom synthesis services for C16H9ClN6S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.