F0620-0046
TL;DR: F0620-0046 (CAS 905681-76-7) is a chemical compound with molecular formula C14H11ClN2O2S2 and molecular weight 338.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[2-[(6-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl] ethanethioate
Also Known As: F0620-0046, 2-(acetylsulfanyl)-N-[(2Z)-6-chloro-3-(prop-2-yn-1-yl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]acetamide, S-[2-[(6-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl] ethanethioate, (Z)-S-(2-((6-chloro-3-(prop-2-yn-1-yl)benzo[d]thiazol-2(3H)-ylidene)amino)-2-oxoethyl) ethanethioate
| Molecular Formula | C14H11ClN2O2S2 |
|---|---|
| Molecular Weight | 338.00 g/mol |
| LogP | 2.6964 |
| Topological Polar Surface Area | 51.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 337.99506 |
| Heavy Atoms | 21 |
| Complexity | 814.4688 |
Chemical Identifiers
| CAS Number | 905681-76-7 |
|---|---|
| SMILES | CC(=O)SCC(=O)N=C1N(C2=C(S1)C=C(C=C2)Cl)CC#C |
Product Overview
F0620-0046 (CAS 905681-76-7), with molecular formula C14H11ClN2O2S2 and molecular weight 338.00 g/mol. IUPAC: S-[2-[(6-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl] ethanethioate.
Chemical Property Profile of F0620-0046
Property Insights of F0620-0046
The XLogP value of 2.6964 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0620-0046. With a topological polar surface area (TPSA) of 51.43 Ų, F0620-0046 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F0620-0046 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 F0620-0046?
The CAS number of F0620-0046 is 905681-76-7.
What is the molecular formula of F0620-0046?
The molecular formula of F0620-0046 is C14H11ClN2O2S2.
What is the molecular weight of F0620-0046?
The molecular weight of F0620-0046 is 338.00 g/mol.
Where can I buy F0620-0046?
You can request a quote for F0620-0046 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0620-0046?
Yes, KEHONG BIO provides custom synthesis services for F0620-0046 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.