C18H13ClN6OS
TL;DR: C18H13ClN6OS (CAS 647830-18-0) is a chemical compound with molecular formula C18H13ClN6OS and molecular weight 396.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-diamino-14-(2-chlorophenyl)-8-imino-12-oxo-9-thia-3,11-diazatricyclo[8.4.0.02,7]tetradeca-1(10),2(7),3,5-tetraene-5-carbonitrile
Also Known As: 2,4-diamino-10-(2-chlorophenyl)-5-imino-8-oxo-7,8,9,10-tetrahydro-5H-thiopyrano[2,3-b:4,5-b']dipyridine-3-carbonitrile, 4,6-Diamino-14-(2-chlorophenyl)-8-imino-12-oxo-9-thia-3,11-diazatricyclo[8.4.0.02,7]tetradeca-1(10),2(7),3,5-tetraene-5-carbonitrile, 6,8-Diamino-4-(2-chloro-phenyl)-9-imino-2-oxo-1,3,4,9-tetrahydro-2H-10-thia-1,5-diaza-phenanthrene- 7-carbonitrile
| Molecular Formula | C18H13ClN6OS |
|---|---|
| Molecular Weight | 396.06 g/mol |
| LogP | 2.93935 |
| Topological Polar Surface Area | 141.67 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 396.056 |
| Heavy Atoms | 27 |
| Complexity | 1229.2197 |
Chemical Identifiers
| CAS Number | 647830-18-0 |
|---|---|
| SMILES | C1C(C2=C(NC1=O)SC(=N)C3=C2N=C(C(=C3N)C#N)N)C4=CC=CC=C4Cl |
Product Overview
C18H13ClN6OS (CAS 647830-18-0), with molecular formula C18H13ClN6OS and molecular weight 396.06 g/mol. IUPAC: 4,6-diamino-14-(2-chlorophenyl)-8-imino-12-oxo-9-thia-3,11-diazatricyclo[8.4.0.02,7]tetradeca-1(10),2(7),3,5-tetraene-5-carbonitrile.
Chemical Property Profile of C18H13ClN6OS
Property Insights of C18H13ClN6OS
The XLogP value of 2.93935 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C18H13ClN6OS. The TPSA of 141.67 Ų indicates high polarity, suggesting C18H13ClN6OS may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C18H13ClN6OS has 4 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 C18H13ClN6OS?
The CAS number of C18H13ClN6OS is 647830-18-0.
What is the molecular formula of C18H13ClN6OS?
The molecular formula of C18H13ClN6OS is C18H13ClN6OS.
What is the molecular weight of C18H13ClN6OS?
The molecular weight of C18H13ClN6OS is 396.06 g/mol.
Where can I buy C18H13ClN6OS?
You can request a quote for C18H13ClN6OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H13ClN6OS?
Yes, KEHONG BIO provides custom synthesis services for C18H13ClN6OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.