![Methyl 3-[1-(2-sulfanyl-1H-imidazol-1-yl)ethyl]benzoate structure](/static/products/288/2881-38-1.png)
Methyl 3-[1-(2-sulfanyl-1H-imidazol-1-yl)ethyl]benzoate
TL;DR: Methyl 3-[1-(2-sulfanyl-1H-imidazol-1-yl)ethyl]benzoate (CAS 2881-38-1) is a chemical compound with molecular formula C13H14N2O2S and molecular weight 262.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[1-(2-sulfanylidene-1H-imidazol-3-yl)ethyl]benzoate
Also Known As: EINECS 220-731-0, Methyl 2,3-dihydro-3-(1-phenylethyl)-2-thioxo-1H-imidazole-4-carboxylate, Methyl 3-[1-(2-sulfanyl-1H-imidazol-1-yl)ethyl]benzoate, methyl 3-[1-(2-sulfanylidene-1H-imidazol-3-yl)ethyl]benzoate
| Molecular Formula | C13H14N2O2S |
|---|---|
| Molecular Weight | 262.08 g/mol |
| LogP | 2.94159 |
| Topological Polar Surface Area | 47.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 262.0776 |
| Heavy Atoms | 18 |
| Complexity | 615.20386 |
Chemical Identifiers
| CAS Number | 2881-38-1 |
|---|---|
| SMILES | CC(C1=CC(=CC=C1)C(=O)OC)N2C=CNC2=S |
Product Overview
Methyl 3-[1-(2-sulfanyl-1H-imidazol-1-yl)ethyl]benzoate (CAS 2881-38-1), with molecular formula C13H14N2O2S and molecular weight 262.08 g/mol. IUPAC: methyl 3-[1-(2-sulfanylidene-1H-imidazol-3-yl)ethyl]benzoate.
Chemical Property Profile of Methyl 3-[1-(2-sulfanyl-1H-imidazol-1-yl)ethyl]benzoate
Property Insights of Methyl 3-[1-(2-sulfanyl-1H-imidazol-1-yl)ethyl]benzoate
The XLogP value of 2.94159 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-[1-(2-sulfanyl-1H-imidazol-1-yl)ethyl]benzoate. With a topological polar surface area (TPSA) of 47.02 Ų, Methyl 3-[1-(2-sulfanyl-1H-imidazol-1-yl)ethyl]benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-[1-(2-sulfanyl-1H-imidazol-1-yl)ethyl]benzoate has 1 hydrogen bond donor(s) and 3 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 Methyl 3-[1-(2-sulfanyl-1H-imidazol-1-yl)ethyl]benzoate?
The CAS number of Methyl 3-[1-(2-sulfanyl-1H-imidazol-1-yl)ethyl]benzoate is 2881-38-1.
What is the molecular formula of Methyl 3-[1-(2-sulfanyl-1H-imidazol-1-yl)ethyl]benzoate?
The molecular formula of Methyl 3-[1-(2-sulfanyl-1H-imidazol-1-yl)ethyl]benzoate is C13H14N2O2S.
What is the molecular weight of Methyl 3-[1-(2-sulfanyl-1H-imidazol-1-yl)ethyl]benzoate?
The molecular weight of Methyl 3-[1-(2-sulfanyl-1H-imidazol-1-yl)ethyl]benzoate is 262.08 g/mol.
Where can I buy Methyl 3-[1-(2-sulfanyl-1H-imidazol-1-yl)ethyl]benzoate?
You can request a quote for Methyl 3-[1-(2-sulfanyl-1H-imidazol-1-yl)ethyl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-[1-(2-sulfanyl-1H-imidazol-1-yl)ethyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-[1-(2-sulfanyl-1H-imidazol-1-yl)ethyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.