AB00680820-01
TL;DR: AB00680820-01 (CAS 898412-10-7) is a chemical compound with molecular formula C18H17N3O5S and molecular weight 387.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)benzenesulfonamide
Also Known As: AB00680820-01, F2668-0083, 4-nitro-N-{2-oxo-1-azatricyclo[7.3.1.0^{5,13}]trideca-5,7,9(13)-trien-7-yl}benzene-1-sulfonamide, 4-nitro-N-(3-oxo-1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinolin-9-yl)benzenesulfonamide, 4-nitro-N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)benzenesulfonamide
| Molecular Formula | C18H17N3O5S |
|---|---|
| Molecular Weight | 387.09 g/mol |
| LogP | 2.621 |
| Topological Polar Surface Area | 109.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 387.0889 |
| Heavy Atoms | 27 |
| Complexity | 1030.162 |
Chemical Identifiers
| CAS Number | 898412-10-7 |
|---|---|
| SMILES | C1CC2=C3C(=CC(=C2)NS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])CCC(=O)N3C1 |
Product Overview
AB00680820-01 (CAS 898412-10-7), with molecular formula C18H17N3O5S and molecular weight 387.09 g/mol. IUPAC: 4-nitro-N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)benzenesulfonamide.
Chemical Property Profile of AB00680820-01
Property Insights of AB00680820-01
The XLogP value of 2.621 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00680820-01. The TPSA of 109.62 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00680820-01. Following Lipinski's Rule of Five, AB00680820-01 has 1 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 AB00680820-01?
The CAS number of AB00680820-01 is 898412-10-7.
What is the molecular formula of AB00680820-01?
The molecular formula of AB00680820-01 is C18H17N3O5S.
What is the molecular weight of AB00680820-01?
The molecular weight of AB00680820-01 is 387.09 g/mol.
Where can I buy AB00680820-01?
You can request a quote for AB00680820-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00680820-01?
Yes, KEHONG BIO provides custom synthesis services for AB00680820-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.