VU0110789-5
TL;DR: VU0110789-5 (CAS 1164513-09-0) is a chemical compound with molecular formula C13H13FN2O2S2 and molecular weight 312.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[2-[(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl] ethanethioate
Also Known As: VU0110789-5, 2-(acetylsulfanyl)-N-[(2Z)-3-ethyl-6-fluoro-2,3-dihydro-1,3-benzothiazol-2-ylidene]acetamide, S-[2-[(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl] ethanethioate, S-(2-{[(2Z)-3-ethyl-6-fluoro-1,3-benzothiazol-2(3H)-ylidene]amino}-2-oxoethyl) ethanethioate, (Z)-S-(2-((3-ethyl-6-fluorobenzo[d]thiazol-2(3H)-ylidene)amino)-2-oxoethyl) ethanethioate
| Molecular Formula | C13H13FN2O2S2 |
|---|---|
| Molecular Weight | 312.04 g/mol |
| LogP | 2.5688 |
| Topological Polar Surface Area | 51.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.04025 |
| Heavy Atoms | 20 |
| Complexity | 733.5366 |
Chemical Identifiers
| CAS Number | 1164513-09-0 |
|---|---|
| SMILES | CCN1C2=C(C=C(C=C2)F)SC1=NC(=O)CSC(=O)C |
Product Overview
VU0110789-5 (CAS 1164513-09-0), with molecular formula C13H13FN2O2S2 and molecular weight 312.04 g/mol. IUPAC: S-[2-[(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl] ethanethioate.
Chemical Property Profile of VU0110789-5
Property Insights of VU0110789-5
The XLogP value of 2.5688 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0110789-5. With a topological polar surface area (TPSA) of 51.43 Ų, VU0110789-5 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, VU0110789-5 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 VU0110789-5?
The CAS number of VU0110789-5 is 1164513-09-0.
What is the molecular formula of VU0110789-5?
The molecular formula of VU0110789-5 is C13H13FN2O2S2.
What is the molecular weight of VU0110789-5?
The molecular weight of VU0110789-5 is 312.04 g/mol.
Where can I buy VU0110789-5?
You can request a quote for VU0110789-5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0110789-5?
Yes, KEHONG BIO provides custom synthesis services for VU0110789-5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.