AB00680544-01
TL;DR: AB00680544-01 (CAS 898435-39-7) is a chemical compound with molecular formula C17H16N2O3S and molecular weight 328.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide
Also Known As: AB00680544-01, F2664-0078, N-{11-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-trien-6-yl}benzenesulfonamide, N-(4-oxo-2,4,5,6-tetrahydro-1H-pyrrolo[3,2,1-ij]quinolin-8-yl)benzenesulfonamide, N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide
| Molecular Formula | C17H16N2O3S |
|---|---|
| Molecular Weight | 328.09 g/mol |
| LogP | 2.3227 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.08817 |
| Heavy Atoms | 23 |
| Complexity | 891.55457 |
Chemical Identifiers
| CAS Number | 898435-39-7 |
|---|---|
| SMILES | C1CC(=O)N2CCC3=CC(=CC1=C32)NS(=O)(=O)C4=CC=CC=C4 |
Product Overview
AB00680544-01 (CAS 898435-39-7), with molecular formula C17H16N2O3S and molecular weight 328.09 g/mol. IUPAC: N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide.
Chemical Property Profile of AB00680544-01
Property Insights of AB00680544-01
The XLogP value of 2.3227 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00680544-01. The TPSA of 66.48 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00680544-01. Following Lipinski's Rule of Five, AB00680544-01 has 1 hydrogen bond donor(s) and 3 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 AB00680544-01?
The CAS number of AB00680544-01 is 898435-39-7.
What is the molecular formula of AB00680544-01?
The molecular formula of AB00680544-01 is C17H16N2O3S.
What is the molecular weight of AB00680544-01?
The molecular weight of AB00680544-01 is 328.09 g/mol.
Where can I buy AB00680544-01?
You can request a quote for AB00680544-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00680544-01?
Yes, KEHONG BIO provides custom synthesis services for AB00680544-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.