AB00680319-01
TL;DR: AB00680319-01 (CAS 886911-12-2) is a chemical compound with molecular formula C17H12F3N3O4S and molecular weight 411.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide
Also Known As: AB00680319-01, F2645-0793, N-(5-(4-(methylsulfonyl)phenyl)-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)benzamide, N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide, methyl(oxo)-p-{5-[m-(trifluoromethyl)benzylamino]-1,3,4-oxadiazol-2-yl}phenyl-lambda-sulfaniumolate
| Molecular Formula | C17H12F3N3O4S |
|---|---|
| Molecular Weight | 411.05 g/mol |
| LogP | 3.4112 |
| Topological Polar Surface Area | 102.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 411.05005 |
| Heavy Atoms | 28 |
| Complexity | 1123.0494 |
Chemical Identifiers
| CAS Number | 886911-12-2 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC=C(C=C1)C2=NN=C(O2)NC(=O)C3=CC(=CC=C3)C(F)(F)F |
Product Overview
AB00680319-01 (CAS 886911-12-2), with molecular formula C17H12F3N3O4S and molecular weight 411.05 g/mol. IUPAC: N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide.
Chemical Property Profile of AB00680319-01
Property Insights of AB00680319-01
The XLogP value of 3.4112 indicates that AB00680319-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.16 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00680319-01. Following Lipinski's Rule of Five, AB00680319-01 has 1 hydrogen bond donor(s) and 6 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 AB00680319-01?
The CAS number of AB00680319-01 is 886911-12-2.
What is the molecular formula of AB00680319-01?
The molecular formula of AB00680319-01 is C17H12F3N3O4S.
What is the molecular weight of AB00680319-01?
The molecular weight of AB00680319-01 is 411.05 g/mol.
Where can I buy AB00680319-01?
You can request a quote for AB00680319-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00680319-01?
Yes, KEHONG BIO provides custom synthesis services for AB00680319-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.