AB00680896-01
TL;DR: AB00680896-01 (CAS 898423-45-5) is a chemical compound with molecular formula C19H16ClN3O3S and molecular weight 401.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-chloro-2-cyanophenyl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide
Also Known As: AB00680896-01, F2669-0093, N-(5-chloro-2-cyanophenyl)-2-oxo-1-azatricyclo[7.3.1.0^{5,13}]trideca-5,7,9(13)-triene-7-sulfonamide, N-(5-chloro-2-cyanophenyl)-3-oxo-1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinoline-9-sulfonamide, N-(5-chloro-2-cyanophenyl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide
| Molecular Formula | C19H16ClN3O3S |
|---|---|
| Molecular Weight | 401.06 g/mol |
| LogP | 3.23788 |
| Topological Polar Surface Area | 90.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 401.0601 |
| Heavy Atoms | 27 |
| Complexity | 1088.6635 |
Chemical Identifiers
| CAS Number | 898423-45-5 |
|---|---|
| SMILES | C1CC2=C3C(=CC(=C2)S(=O)(=O)NC4=C(C=CC(=C4)Cl)C#N)CCC(=O)N3C1 |
Product Overview
AB00680896-01 (CAS 898423-45-5), with molecular formula C19H16ClN3O3S and molecular weight 401.06 g/mol. IUPAC: N-(5-chloro-2-cyanophenyl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide.
Chemical Property Profile of AB00680896-01
Property Insights of AB00680896-01
The XLogP value of 3.23788 indicates that AB00680896-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.27 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00680896-01. Following Lipinski's Rule of Five, AB00680896-01 has 1 hydrogen bond donor(s) and 4 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 AB00680896-01?
The CAS number of AB00680896-01 is 898423-45-5.
What is the molecular formula of AB00680896-01?
The molecular formula of AB00680896-01 is C19H16ClN3O3S.
What is the molecular weight of AB00680896-01?
The molecular weight of AB00680896-01 is 401.06 g/mol.
Where can I buy AB00680896-01?
You can request a quote for AB00680896-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00680896-01?
Yes, KEHONG BIO provides custom synthesis services for AB00680896-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.