VU0495808-1
TL;DR: VU0495808-1 (CAS 663167-76-8) is a chemical compound with molecular formula C17H13F3N2O4S and molecular weight 398.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(trifluoromethyl)phenyl]-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
Also Known As: VU0495808-1, 3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-[2-(trifluoromethyl)phenyl]propanamide, F2749-0151, AP-853/41872888, N-[2-(trifluoromethyl)phenyl]-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
| Molecular Formula | C17H13F3N2O4S |
|---|---|
| Molecular Weight | 398.05 g/mol |
| LogP | 2.8787 |
| Topological Polar Surface Area | 83.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.0548 |
| Heavy Atoms | 27 |
| Complexity | 1018.83374 |
Chemical Identifiers
| CAS Number | 663167-76-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCC(=O)NC3=CC=CC=C3C(F)(F)F |
Product Overview
VU0495808-1 (CAS 663167-76-8), with molecular formula C17H13F3N2O4S and molecular weight 398.05 g/mol. IUPAC: N-[2-(trifluoromethyl)phenyl]-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide.
Chemical Property Profile of VU0495808-1
Property Insights of VU0495808-1
The XLogP value of 2.8787 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0495808-1. The TPSA of 83.55 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0495808-1. Following Lipinski's Rule of Five, VU0495808-1 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 VU0495808-1?
The CAS number of VU0495808-1 is 663167-76-8.
What is the molecular formula of VU0495808-1?
The molecular formula of VU0495808-1 is C17H13F3N2O4S.
What is the molecular weight of VU0495808-1?
The molecular weight of VU0495808-1 is 398.05 g/mol.
Where can I buy VU0495808-1?
You can request a quote for VU0495808-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0495808-1?
Yes, KEHONG BIO provides custom synthesis services for VU0495808-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.