AB00680893-01
TL;DR: AB00680893-01 (CAS 898438-58-9) is a chemical compound with molecular formula C18H16F2N2O3S and molecular weight 378.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,5-difluorophenyl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide
Also Known As: AB00680893-01, F2669-0085, N-(2,5-difluorophenyl)-3-oxo-1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinoline-9-sulfonamide, N-(2,5-difluorophenyl)-2-oxo-1-azatricyclo[7.3.1.0^{5,13}]trideca-5,7,9(13)-triene-7-sulfonamide, N-(2,5-difluorophenyl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide
| Molecular Formula | C18H16F2N2O3S |
|---|---|
| Molecular Weight | 378.08 g/mol |
| LogP | 2.991 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 378.08496 |
| Heavy Atoms | 26 |
| Complexity | 1004.08655 |
Chemical Identifiers
| CAS Number | 898438-58-9 |
|---|---|
| SMILES | C1CC2=C3C(=CC(=C2)S(=O)(=O)NC4=C(C=CC(=C4)F)F)CCC(=O)N3C1 |
Product Overview
AB00680893-01 (CAS 898438-58-9), with molecular formula C18H16F2N2O3S and molecular weight 378.08 g/mol. IUPAC: N-(2,5-difluorophenyl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide.
Chemical Property Profile of AB00680893-01
Property Insights of AB00680893-01
The XLogP value of 2.991 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00680893-01. The TPSA of 66.48 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00680893-01. Following Lipinski's Rule of Five, AB00680893-01 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 AB00680893-01?
The CAS number of AB00680893-01 is 898438-58-9.
What is the molecular formula of AB00680893-01?
The molecular formula of AB00680893-01 is C18H16F2N2O3S.
What is the molecular weight of AB00680893-01?
The molecular weight of AB00680893-01 is 378.08 g/mol.
Where can I buy AB00680893-01?
You can request a quote for AB00680893-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00680893-01?
Yes, KEHONG BIO provides custom synthesis services for AB00680893-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.