AB00680919-01
TL;DR: AB00680919-01 (CAS 898438-77-2) is a chemical compound with molecular formula C19H17F3N2O3S and molecular weight 410.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-oxo-N-[3-(trifluoromethyl)phenyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide
Also Known As: AB00680919-01, F2669-0166, 2-oxo-N-[3-(trifluoromethyl)phenyl]-1-azatricyclo[7.3.1.0^{5,13}]trideca-5,7,9(13)-triene-7-sulfonamide, 3-oxo-N-(3-(trifluoromethyl)phenyl)-1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinoline-9-sulfonamide, 2-oxo-N-[3-(trifluoromethyl)phenyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide
| Molecular Formula | C19H17F3N2O3S |
|---|---|
| Molecular Weight | 410.09 g/mol |
| LogP | 3.7316 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 410.0912 |
| Heavy Atoms | 28 |
| Complexity | 1047.3289 |
Chemical Identifiers
| CAS Number | 898438-77-2 |
|---|---|
| SMILES | C1CC2=C3C(=CC(=C2)S(=O)(=O)NC4=CC=CC(=C4)C(F)(F)F)CCC(=O)N3C1 |
Product Overview
AB00680919-01 (CAS 898438-77-2), with molecular formula C19H17F3N2O3S and molecular weight 410.09 g/mol. IUPAC: 2-oxo-N-[3-(trifluoromethyl)phenyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide.
Chemical Property Profile of AB00680919-01
Property Insights of AB00680919-01
The XLogP value of 3.7316 indicates that AB00680919-01 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 AB00680919-01. Following Lipinski's Rule of Five, AB00680919-01 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 AB00680919-01?
The CAS number of AB00680919-01 is 898438-77-2.
What is the molecular formula of AB00680919-01?
The molecular formula of AB00680919-01 is C19H17F3N2O3S.
What is the molecular weight of AB00680919-01?
The molecular weight of AB00680919-01 is 410.09 g/mol.
Where can I buy AB00680919-01?
You can request a quote for AB00680919-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00680919-01?
Yes, KEHONG BIO provides custom synthesis services for AB00680919-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.