AB00681396-01
TL;DR: AB00681396-01 (CAS 899757-71-2) is a chemical compound with molecular formula C16H11F3N2O4S and molecular weight 384.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,3,4-trifluorophenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
Also Known As: AB00681396-01, F2749-0246, N-(2,3,4-trifluorophenyl)-3-(1,1,3-trioxo-2,3-dihydro-1lambda6,2-benzothiazol-2-yl)propanamide, 3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-(2,3,4-trifluorophenyl)propanamide, N-(2,3,4-trifluorophenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
| Molecular Formula | C16H11F3N2O4S |
|---|---|
| Molecular Weight | 384.04 g/mol |
| LogP | 2.2772 |
| Topological Polar Surface Area | 83.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 384.03915 |
| Heavy Atoms | 26 |
| Complexity | 1024.15 |
Chemical Identifiers
| CAS Number | 899757-71-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCC(=O)NC3=C(C(=C(C=C3)F)F)F |
Product Overview
AB00681396-01 (CAS 899757-71-2), with molecular formula C16H11F3N2O4S and molecular weight 384.04 g/mol. IUPAC: N-(2,3,4-trifluorophenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide.
Chemical Property Profile of AB00681396-01
Property Insights of AB00681396-01
The XLogP value of 2.2772 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00681396-01. The TPSA of 83.55 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00681396-01. Following Lipinski's Rule of Five, AB00681396-01 has 1 hydrogen bond donor(s) and 4 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 AB00681396-01?
The CAS number of AB00681396-01 is 899757-71-2.
What is the molecular formula of AB00681396-01?
The molecular formula of AB00681396-01 is C16H11F3N2O4S.
What is the molecular weight of AB00681396-01?
The molecular weight of AB00681396-01 is 384.04 g/mol.
Where can I buy AB00681396-01?
You can request a quote for AB00681396-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00681396-01?
Yes, KEHONG BIO provides custom synthesis services for AB00681396-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.