VU0495812-1
TL;DR: VU0495812-1 (CAS 899757-34-7) is a chemical compound with molecular formula C17H16N2O4S2 and molecular weight 376.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-methylsulfanylphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
Also Known As: VU0495812-1, F2749-0161, N-[2-(methylsulfanyl)phenyl]-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-(methylthio)phenyl)propanamide, N-(2-methylsulfanylphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
| Molecular Formula | C17H16N2O4S2 |
|---|---|
| Molecular Weight | 376.06 g/mol |
| LogP | 2.5818 |
| Topological Polar Surface Area | 83.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 376.05515 |
| Heavy Atoms | 25 |
| Complexity | 941.16895 |
Chemical Identifiers
| CAS Number | 899757-34-7 |
|---|---|
| SMILES | CSC1=CC=CC=C1NC(=O)CCN2C(=O)C3=CC=CC=C3S2(=O)=O |
Product Overview
VU0495812-1 (CAS 899757-34-7), with molecular formula C17H16N2O4S2 and molecular weight 376.06 g/mol. IUPAC: N-(2-methylsulfanylphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide.
Chemical Property Profile of VU0495812-1
Property Insights of VU0495812-1
The XLogP value of 2.5818 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0495812-1. The TPSA of 83.55 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0495812-1. Following Lipinski's Rule of Five, VU0495812-1 has 1 hydrogen bond donor(s) and 5 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 VU0495812-1?
The CAS number of VU0495812-1 is 899757-34-7.
What is the molecular formula of VU0495812-1?
The molecular formula of VU0495812-1 is C17H16N2O4S2.
What is the molecular weight of VU0495812-1?
The molecular weight of VU0495812-1 is 376.06 g/mol.
Where can I buy VU0495812-1?
You can request a quote for VU0495812-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0495812-1?
Yes, KEHONG BIO provides custom synthesis services for VU0495812-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.