AB00680631-01
TL;DR: AB00680631-01 (CAS 898462-90-3) is a chemical compound with molecular formula C17H14Cl2N2O3S and molecular weight 396.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,5-dichlorophenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
Also Known As: AB00680631-01, F2665-0122, N-(3,5-dichlorophenyl)-11-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-triene-6-sulfonamide, N-(3,5-dichlorophenyl)-4-oxo-2,4,5,6-tetrahydro-1H-pyrrolo[3,2,1-ij]quinoline-8-sulfonamide, N-(3,5-dichlorophenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
| Molecular Formula | C17H14Cl2N2O3S |
|---|---|
| Molecular Weight | 396.01 g/mol |
| LogP | 3.6295 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 396.01022 |
| Heavy Atoms | 25 |
| Complexity | 984.9428 |
Chemical Identifiers
| CAS Number | 898462-90-3 |
|---|---|
| SMILES | C1CC(=O)N2CCC3=CC(=CC1=C32)S(=O)(=O)NC4=CC(=CC(=C4)Cl)Cl |
Product Overview
AB00680631-01 (CAS 898462-90-3), with molecular formula C17H14Cl2N2O3S and molecular weight 396.01 g/mol. IUPAC: N-(3,5-dichlorophenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide.
Chemical Property Profile of AB00680631-01
Property Insights of AB00680631-01
The XLogP value of 3.6295 indicates that AB00680631-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.48 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00680631-01. Following Lipinski's Rule of Five, AB00680631-01 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 AB00680631-01?
The CAS number of AB00680631-01 is 898462-90-3.
What is the molecular formula of AB00680631-01?
The molecular formula of AB00680631-01 is C17H14Cl2N2O3S.
What is the molecular weight of AB00680631-01?
The molecular weight of AB00680631-01 is 396.01 g/mol.
Where can I buy AB00680631-01?
You can request a quote for AB00680631-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00680631-01?
Yes, KEHONG BIO provides custom synthesis services for AB00680631-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.