![[6-[(1-Methylimidazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 2-chlorobenzoate structure](/static/products/896/896308-58-0.png)
[6-[(1-Methylimidazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 2-chlorobenzoate
TL;DR: [6-[(1-Methylimidazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 2-chlorobenzoate (CAS 896308-58-0) is a chemical compound with molecular formula C17H13ClN2O4S and molecular weight 376.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 2-chlorobenzoate
Also Known As: 6-{[(1-methyl-1H-imidazol-2-yl)sulfanyl]methyl}-4-oxo-4H-pyran-3-yl 2-chlorobenzoate, F2567-0056, [6-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 2-chlorobenzoate, 6-(((1-methyl-1H-imidazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 2-chlorobenzoate
| Molecular Formula | C17H13ClN2O4S |
|---|---|
| Molecular Weight | 376.03 g/mol |
| LogP | 3.5382 |
| Topological Polar Surface Area | 74.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 376.02844 |
| Heavy Atoms | 25 |
| Complexity | 967.03174 |
Chemical Identifiers
| CAS Number | 896308-58-0 |
|---|---|
| SMILES | CN1C=CN=C1SCC2=CC(=O)C(=CO2)OC(=O)C3=CC=CC=C3Cl |
Product Overview
[6-[(1-Methylimidazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 2-chlorobenzoate (CAS 896308-58-0), with molecular formula C17H13ClN2O4S and molecular weight 376.03 g/mol. IUPAC: [6-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 2-chlorobenzoate.
Chemical Property Profile of [6-[(1-Methylimidazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 2-chlorobenzoate
Property Insights of [6-[(1-Methylimidazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 2-chlorobenzoate
The XLogP value of 3.5382 indicates that [6-[(1-Methylimidazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 2-chlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.33 Ų falls within the moderate polarity range, balancing permeability and solubility for [6-[(1-Methylimidazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 2-chlorobenzoate. Following Lipinski's Rule of Five, [6-[(1-Methylimidazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 2-chlorobenzoate has 0 hydrogen bond donor(s) and 6 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 [6-[(1-Methylimidazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 2-chlorobenzoate?
The CAS number of [6-[(1-Methylimidazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 2-chlorobenzoate is 896308-58-0.
What is the molecular formula of [6-[(1-Methylimidazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 2-chlorobenzoate?
The molecular formula of [6-[(1-Methylimidazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 2-chlorobenzoate is C17H13ClN2O4S.
What is the molecular weight of [6-[(1-Methylimidazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 2-chlorobenzoate?
The molecular weight of [6-[(1-Methylimidazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 2-chlorobenzoate is 376.03 g/mol.
Where can I buy [6-[(1-Methylimidazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 2-chlorobenzoate?
You can request a quote for [6-[(1-Methylimidazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 2-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [6-[(1-Methylimidazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 2-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for [6-[(1-Methylimidazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 2-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.