AB00680898-01
TL;DR: AB00680898-01 (CAS 898438-60-3) is a chemical compound with molecular formula C19H19FN2O3S and molecular weight 374.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-fluoro-4-methylphenyl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide
Also Known As: AB00680898-01, F2669-0096, N-(3-fluoro-4-methylphenyl)-2-oxo-1-azatricyclo[7.3.1.0^{5,13}]trideca-5,7,9(13)-triene-7-sulfonamide, N-(3-fluoro-4-methylphenyl)-3-oxo-1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinoline-9-sulfonamide, N-(3-fluoro-4-methylphenyl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide
| Molecular Formula | C19H19FN2O3S |
|---|---|
| Molecular Weight | 374.11 g/mol |
| LogP | 3.16032 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 374.11005 |
| Heavy Atoms | 26 |
| Complexity | 1000.4346 |
Chemical Identifiers
| CAS Number | 898438-60-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC3=C4C(=C2)CCC(=O)N4CCC3)F |
Product Overview
AB00680898-01 (CAS 898438-60-3), with molecular formula C19H19FN2O3S and molecular weight 374.11 g/mol. IUPAC: N-(3-fluoro-4-methylphenyl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide.
Chemical Property Profile of AB00680898-01
Property Insights of AB00680898-01
The XLogP value of 3.16032 indicates that AB00680898-01 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 AB00680898-01. Following Lipinski's Rule of Five, AB00680898-01 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 AB00680898-01?
The CAS number of AB00680898-01 is 898438-60-3.
What is the molecular formula of AB00680898-01?
The molecular formula of AB00680898-01 is C19H19FN2O3S.
What is the molecular weight of AB00680898-01?
The molecular weight of AB00680898-01 is 374.11 g/mol.
Where can I buy AB00680898-01?
You can request a quote for AB00680898-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00680898-01?
Yes, KEHONG BIO provides custom synthesis services for AB00680898-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.