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methyl 2-[(1-phenyl-1H-imidazol-2-yl)sulfanyl]acetate
TL;DR: methyl 2-[(1-phenyl-1H-imidazol-2-yl)sulfanyl]acetate (CAS 478039-86-0) is a chemical compound with molecular formula C12H12N2O2S and molecular weight 248.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(1-phenylimidazol-2-yl)sulfanylacetate
Also Known As: Methyl 2-(1-phenylimidazol-2-yl)sulfanylacetate, methyl 2-[(1-phenyl-1H-imidazol-2-yl)sulfanyl]acetate, 3R-0211, methyl2-[(1-phenyl-1H-imidazol-2-yl)sulfanyl]acetate
| Molecular Formula | C12H12N2O2S |
|---|---|
| Molecular Weight | 248.06 g/mol |
| LogP | 2.1374 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 248.06195 |
| Heavy Atoms | 17 |
| Complexity | 496.21655 |
Chemical Identifiers
| CAS Number | 478039-86-0 |
|---|---|
| SMILES | COC(=O)CSC1=NC=CN1C2=CC=CC=C2 |
Product Overview
methyl 2-[(1-phenyl-1H-imidazol-2-yl)sulfanyl]acetate (CAS 478039-86-0), with molecular formula C12H12N2O2S and molecular weight 248.06 g/mol. IUPAC: methyl 2-(1-phenylimidazol-2-yl)sulfanylacetate.
Chemical Property Profile of methyl 2-[(1-phenyl-1H-imidazol-2-yl)sulfanyl]acetate
Property Insights of methyl 2-[(1-phenyl-1H-imidazol-2-yl)sulfanyl]acetate
The XLogP value of 2.1374 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-[(1-phenyl-1H-imidazol-2-yl)sulfanyl]acetate. With a topological polar surface area (TPSA) of 44.12 Ų, methyl 2-[(1-phenyl-1H-imidazol-2-yl)sulfanyl]acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 2-[(1-phenyl-1H-imidazol-2-yl)sulfanyl]acetate 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 methyl 2-[(1-phenyl-1H-imidazol-2-yl)sulfanyl]acetate?
The CAS number of methyl 2-[(1-phenyl-1H-imidazol-2-yl)sulfanyl]acetate is 478039-86-0.
What is the molecular formula of methyl 2-[(1-phenyl-1H-imidazol-2-yl)sulfanyl]acetate?
The molecular formula of methyl 2-[(1-phenyl-1H-imidazol-2-yl)sulfanyl]acetate is C12H12N2O2S.
What is the molecular weight of methyl 2-[(1-phenyl-1H-imidazol-2-yl)sulfanyl]acetate?
The molecular weight of methyl 2-[(1-phenyl-1H-imidazol-2-yl)sulfanyl]acetate is 248.06 g/mol.
Where can I buy methyl 2-[(1-phenyl-1H-imidazol-2-yl)sulfanyl]acetate?
You can request a quote for methyl 2-[(1-phenyl-1H-imidazol-2-yl)sulfanyl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-[(1-phenyl-1H-imidazol-2-yl)sulfanyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[(1-phenyl-1H-imidazol-2-yl)sulfanyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.