AB00680640-01
TL;DR: AB00680640-01 (CAS 898463-04-2) is a chemical compound with molecular formula C18H15F3N2O3S and molecular weight 396.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-oxo-N-[2-(trifluoromethyl)phenyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
Also Known As: AB00680640-01, F2665-0146, 4-oxo-N-(2-(trifluoromethyl)phenyl)-2,4,5,6-tetrahydro-1H-pyrrolo[3,2,1-ij]quinoline-8-sulfonamide, 11-oxo-N-[2-(trifluoromethyl)phenyl]-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-triene-6-sulfonamide, 11-oxo-N-[2-(trifluoromethyl)phenyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
| Molecular Formula | C18H15F3N2O3S |
|---|---|
| Molecular Weight | 396.08 g/mol |
| LogP | 3.3415 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 396.07556 |
| Heavy Atoms | 27 |
| Complexity | 1048.3027 |
Chemical Identifiers
| CAS Number | 898463-04-2 |
|---|---|
| SMILES | C1CC(=O)N2CCC3=CC(=CC1=C32)S(=O)(=O)NC4=CC=CC=C4C(F)(F)F |
Product Overview
AB00680640-01 (CAS 898463-04-2), with molecular formula C18H15F3N2O3S and molecular weight 396.08 g/mol. IUPAC: 11-oxo-N-[2-(trifluoromethyl)phenyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide.
Chemical Property Profile of AB00680640-01
Property Insights of AB00680640-01
The XLogP value of 3.3415 indicates that AB00680640-01 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 AB00680640-01. Following Lipinski's Rule of Five, AB00680640-01 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 AB00680640-01?
The CAS number of AB00680640-01 is 898463-04-2.
What is the molecular formula of AB00680640-01?
The molecular formula of AB00680640-01 is C18H15F3N2O3S.
What is the molecular weight of AB00680640-01?
The molecular weight of AB00680640-01 is 396.08 g/mol.
Where can I buy AB00680640-01?
You can request a quote for AB00680640-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00680640-01?
Yes, KEHONG BIO provides custom synthesis services for AB00680640-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.