AB00709533-01
TL;DR: AB00709533-01 (CAS 301522-49-6) is a chemical compound with molecular formula C16H8ClN5O4S and molecular weight 401.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
15-chloro-5-methylsulfonyl-8,18-dioxo-1,4,6,11-tetrazatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6,9,12(17),13,15-heptaene-9-carbonitrile
Also Known As: AB00709533-01, 8-chloro-2-methanesulfonyl-6,13-dioxo-11,13-dihydro-6H-1,3,5a,11-tetraazatetraphene-12-carbonitrile
| Molecular Formula | C16H8ClN5O4S |
|---|---|
| Molecular Weight | 401.00 g/mol |
| LogP | 1.01278 |
| Topological Polar Surface Area | 138.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 400.99857 |
| Heavy Atoms | 27 |
| Complexity | 1564.3733 |
Chemical Identifiers
| CAS Number | 301522-49-6 |
|---|---|
| SMILES | CS(=O)(=O)C1=NC=C2C(=N1)C(=O)C(=C3N2C(=O)C4=C(N3)C=CC(=C4)Cl)C#N |
Product Overview
AB00709533-01 (CAS 301522-49-6), with molecular formula C16H8ClN5O4S and molecular weight 401.00 g/mol. IUPAC: 15-chloro-5-methylsulfonyl-8,18-dioxo-1,4,6,11-tetrazatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6,9,12(17),13,15-heptaene-9-carbonitrile.
Chemical Property Profile of AB00709533-01
Property Insights of AB00709533-01
The XLogP value of 1.01278 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00709533-01. The TPSA of 138.05 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00709533-01. Following Lipinski's Rule of Five, AB00709533-01 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 AB00709533-01?
The CAS number of AB00709533-01 is 301522-49-6.
What is the molecular formula of AB00709533-01?
The molecular formula of AB00709533-01 is C16H8ClN5O4S.
What is the molecular weight of AB00709533-01?
The molecular weight of AB00709533-01 is 401.00 g/mol.
Where can I buy AB00709533-01?
You can request a quote for AB00709533-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00709533-01?
Yes, KEHONG BIO provides custom synthesis services for AB00709533-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.