ChemDiv3_009049
TL;DR: ChemDiv3_009049 (CAS 1164531-05-8) is a chemical compound with molecular formula C12H11FN2O2S2 and molecular weight 298.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[2-[(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl] ethanethioate
Also Known As: ChemDiv3_009049, IDI1_026959, VU0488573-1, 2-(acetylsulfanyl)-N-[(2Z)-6-fluoro-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]acetamide, BRD-K60207491-001-01-7
| Molecular Formula | C12H11FN2O2S2 |
|---|---|
| Molecular Weight | 298.02 g/mol |
| LogP | 2.0859 |
| Topological Polar Surface Area | 51.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 298.0246 |
| Heavy Atoms | 19 |
| Complexity | 718.07794 |
Chemical Identifiers
| CAS Number | 1164531-05-8 |
|---|---|
| SMILES | CC(=O)SCC(=O)N=C1N(C2=C(S1)C=C(C=C2)F)C |
Product Overview
ChemDiv3_009049 (CAS 1164531-05-8), with molecular formula C12H11FN2O2S2 and molecular weight 298.02 g/mol. IUPAC: S-[2-[(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl] ethanethioate.
Chemical Property Profile of ChemDiv3_009049
Property Insights of ChemDiv3_009049
The XLogP value of 2.0859 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_009049. With a topological polar surface area (TPSA) of 51.43 Ų, ChemDiv3_009049 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_009049 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 ChemDiv3_009049?
The CAS number of ChemDiv3_009049 is 1164531-05-8.
What is the molecular formula of ChemDiv3_009049?
The molecular formula of ChemDiv3_009049 is C12H11FN2O2S2.
What is the molecular weight of ChemDiv3_009049?
The molecular weight of ChemDiv3_009049 is 298.02 g/mol.
Where can I buy ChemDiv3_009049?
You can request a quote for ChemDiv3_009049 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_009049?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_009049 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.