VU0488570-1
TL;DR: VU0488570-1 (CAS 905679-83-6) is a chemical compound with molecular formula C13H14N2O2S2 and molecular weight 294.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[2-[(3,6-dimethyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl] ethanethioate
Also Known As: VU0488570-1, F0620-0001, 2-(acetylsulfanyl)-N-[(2Z)-3,6-dimethyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]acetamide, (Z)-S-(2-((3,6-dimethylbenzo[d]thiazol-2(3H)-ylidene)amino)-2-oxoethyl) ethanethioate, S-[2-[(3,6-dimethyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl] ethanethioate
| Molecular Formula | C13H14N2O2S2 |
|---|---|
| Molecular Weight | 294.05 g/mol |
| LogP | 2.25522 |
| Topological Polar Surface Area | 51.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 294.04968 |
| Heavy Atoms | 19 |
| Complexity | 712.99176 |
Chemical Identifiers
| CAS Number | 905679-83-6 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N(C(=NC(=O)CSC(=O)C)S2)C |
Product Overview
VU0488570-1 (CAS 905679-83-6), with molecular formula C13H14N2O2S2 and molecular weight 294.05 g/mol. IUPAC: S-[2-[(3,6-dimethyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl] ethanethioate.
Chemical Property Profile of VU0488570-1
Property Insights of VU0488570-1
The XLogP value of 2.25522 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0488570-1. With a topological polar surface area (TPSA) of 51.43 Ų, VU0488570-1 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, VU0488570-1 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 VU0488570-1?
The CAS number of VU0488570-1 is 905679-83-6.
What is the molecular formula of VU0488570-1?
The molecular formula of VU0488570-1 is C13H14N2O2S2.
What is the molecular weight of VU0488570-1?
The molecular weight of VU0488570-1 is 294.05 g/mol.
Where can I buy VU0488570-1?
You can request a quote for VU0488570-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0488570-1?
Yes, KEHONG BIO provides custom synthesis services for VU0488570-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.