VU0495794-1
TL;DR: VU0495794-1 (CAS 899954-54-2) is a chemical compound with molecular formula C15H14N2O4S2 and molecular weight 350.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(thiophen-2-ylmethyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
Also Known As: VU0495794-1, F2749-0108, N-(thiophen-2-ylmethyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide, N-[(thiophen-2-yl)methyl]-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-(thiophen-2-ylmethyl)propanamide
| Molecular Formula | C15H14N2O4S2 |
|---|---|
| Molecular Weight | 350.04 g/mol |
| LogP | 1.5991 |
| Topological Polar Surface Area | 83.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 350.0395 |
| Heavy Atoms | 23 |
| Complexity | 844.12164 |
Chemical Identifiers
| CAS Number | 899954-54-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCC(=O)NCC3=CC=CS3 |
Product Overview
VU0495794-1 (CAS 899954-54-2), with molecular formula C15H14N2O4S2 and molecular weight 350.04 g/mol. IUPAC: N-(thiophen-2-ylmethyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide.
Chemical Property Profile of VU0495794-1
Property Insights of VU0495794-1
The XLogP value of 1.5991 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0495794-1. The TPSA of 83.55 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0495794-1. Following Lipinski's Rule of Five, VU0495794-1 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 VU0495794-1?
The CAS number of VU0495794-1 is 899954-54-2.
What is the molecular formula of VU0495794-1?
The molecular formula of VU0495794-1 is C15H14N2O4S2.
What is the molecular weight of VU0495794-1?
The molecular weight of VU0495794-1 is 350.04 g/mol.
Where can I buy VU0495794-1?
You can request a quote for VU0495794-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0495794-1?
Yes, KEHONG BIO provides custom synthesis services for VU0495794-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.