![methyl 4-[(1-phenyl-1H-imidazol-2-yl)sulfanyl]butanoate structure](/static/products/4780/478046-09-2.webp)
methyl 4-[(1-phenyl-1H-imidazol-2-yl)sulfanyl]butanoate
TL;DR: methyl 4-[(1-phenyl-1H-imidazol-2-yl)sulfanyl]butanoate (CAS 478046-09-2) is a chemical compound with molecular formula C14H16N2O2S and molecular weight 276.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(1-phenylimidazol-2-yl)sulfanylbutanoate
Also Known As: methyl 4-[(1-phenyl-1H-imidazol-2-yl)sulfanyl]butanoate, Methyl 4-(1-phenylimidazol-2-yl)sulfanylbutanoate, methyl4-[(1-phenyl-1H-imidazol-2-yl)sulfanyl]butanoate
| Molecular Formula | C14H16N2O2S |
|---|---|
| Molecular Weight | 276.09 g/mol |
| LogP | 2.9176 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 276.09326 |
| Heavy Atoms | 19 |
| Complexity | 525.2521 |
Chemical Identifiers
| CAS Number | 478046-09-2 |
|---|---|
| SMILES | COC(=O)CCCSC1=NC=CN1C2=CC=CC=C2 |
Product Overview
methyl 4-[(1-phenyl-1H-imidazol-2-yl)sulfanyl]butanoate (CAS 478046-09-2), with molecular formula C14H16N2O2S and molecular weight 276.09 g/mol. IUPAC: methyl 4-(1-phenylimidazol-2-yl)sulfanylbutanoate.
Chemical Property Profile of methyl 4-[(1-phenyl-1H-imidazol-2-yl)sulfanyl]butanoate
Property Insights of methyl 4-[(1-phenyl-1H-imidazol-2-yl)sulfanyl]butanoate
The XLogP value of 2.9176 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-[(1-phenyl-1H-imidazol-2-yl)sulfanyl]butanoate. With a topological polar surface area (TPSA) of 44.12 Ų, methyl 4-[(1-phenyl-1H-imidazol-2-yl)sulfanyl]butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 4-[(1-phenyl-1H-imidazol-2-yl)sulfanyl]butanoate 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 4-[(1-phenyl-1H-imidazol-2-yl)sulfanyl]butanoate?
The CAS number of methyl 4-[(1-phenyl-1H-imidazol-2-yl)sulfanyl]butanoate is 478046-09-2.
What is the molecular formula of methyl 4-[(1-phenyl-1H-imidazol-2-yl)sulfanyl]butanoate?
The molecular formula of methyl 4-[(1-phenyl-1H-imidazol-2-yl)sulfanyl]butanoate is C14H16N2O2S.
What is the molecular weight of methyl 4-[(1-phenyl-1H-imidazol-2-yl)sulfanyl]butanoate?
The molecular weight of methyl 4-[(1-phenyl-1H-imidazol-2-yl)sulfanyl]butanoate is 276.09 g/mol.
Where can I buy methyl 4-[(1-phenyl-1H-imidazol-2-yl)sulfanyl]butanoate?
You can request a quote for methyl 4-[(1-phenyl-1H-imidazol-2-yl)sulfanyl]butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-[(1-phenyl-1H-imidazol-2-yl)sulfanyl]butanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[(1-phenyl-1H-imidazol-2-yl)sulfanyl]butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.