AB00714613-01
TL;DR: AB00714613-01 (CAS 956359-15-2) is a chemical compound with molecular formula C20H13FN6O2S2 and molecular weight 452.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(3-fluoroanilino)quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide
Also Known As: AB00714613-01, AB00714613-02, N-(3-((3-fluorophenyl)amino)quinoxalin-2-yl)benzo[c][1,2,5]thiadiazole-4-sulfonamide, N-[3-(3-fluoroanilino)quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide
| Molecular Formula | C20H13FN6O2S2 |
|---|---|
| Molecular Weight | 452.05 g/mol |
| LogP | 4.318 |
| Topological Polar Surface Area | 109.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 452.05255 |
| Heavy Atoms | 31 |
| Complexity | 1537.5964 |
Chemical Identifiers
| CAS Number | 956359-15-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(C(=N2)NS(=O)(=O)C3=CC=CC4=NSN=C43)NC5=CC(=CC=C5)F |
Product Overview
AB00714613-01 (CAS 956359-15-2), with molecular formula C20H13FN6O2S2 and molecular weight 452.05 g/mol. IUPAC: N-[3-(3-fluoroanilino)quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide.
Chemical Property Profile of AB00714613-01
Property Insights of AB00714613-01
The XLogP value of 4.318 indicates that AB00714613-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.76 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00714613-01. Following Lipinski's Rule of Five, AB00714613-01 has 2 hydrogen bond donor(s) and 8 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 AB00714613-01?
The CAS number of AB00714613-01 is 956359-15-2.
What is the molecular formula of AB00714613-01?
The molecular formula of AB00714613-01 is C20H13FN6O2S2.
What is the molecular weight of AB00714613-01?
The molecular weight of AB00714613-01 is 452.05 g/mol.
Where can I buy AB00714613-01?
You can request a quote for AB00714613-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00714613-01?
Yes, KEHONG BIO provides custom synthesis services for AB00714613-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.