VU0488576-1
TL;DR: VU0488576-1 (CAS 851716-71-7) is a chemical compound with molecular formula C14H12N2O2S2 and molecular weight 304.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[2-oxo-2-[(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]ethyl] ethanethioate
Also Known As: VU0488576-1, F0620-0070, (Z)-S-(2-oxo-2-((3-(prop-2-yn-1-yl)benzo[d]thiazol-2(3H)-ylidene)amino)ethyl) ethanethioate, S-[2-oxo-2-[(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]ethyl] ethanethioate, 2-(acetylsulfanyl)-N-[(2Z)-3-(prop-2-yn-1-yl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]acetamide
| Molecular Formula | C14H12N2O2S2 |
|---|---|
| Molecular Weight | 304.03 g/mol |
| LogP | 2.043 |
| Topological Polar Surface Area | 51.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 304.03403 |
| Heavy Atoms | 20 |
| Complexity | 765.30725 |
Chemical Identifiers
| CAS Number | 851716-71-7 |
|---|---|
| SMILES | CC(=O)SCC(=O)N=C1N(C2=CC=CC=C2S1)CC#C |
Product Overview
VU0488576-1 (CAS 851716-71-7), with molecular formula C14H12N2O2S2 and molecular weight 304.03 g/mol. IUPAC: S-[2-oxo-2-[(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]ethyl] ethanethioate.
Chemical Property Profile of VU0488576-1
Property Insights of VU0488576-1
The XLogP value of 2.043 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0488576-1. With a topological polar surface area (TPSA) of 51.43 Ų, VU0488576-1 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, VU0488576-1 has 0 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 VU0488576-1?
The CAS number of VU0488576-1 is 851716-71-7.
What is the molecular formula of VU0488576-1?
The molecular formula of VU0488576-1 is C14H12N2O2S2.
What is the molecular weight of VU0488576-1?
The molecular weight of VU0488576-1 is 304.03 g/mol.
Where can I buy VU0488576-1?
You can request a quote for VU0488576-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0488576-1?
Yes, KEHONG BIO provides custom synthesis services for VU0488576-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.