![tert-butyl 2-[(1-phenyl-1H-imidazol-2-yl)sulfanyl]acetate structure](/static/products/4780/478046-08-1.webp)
tert-butyl 2-[(1-phenyl-1H-imidazol-2-yl)sulfanyl]acetate
TL;DR: tert-butyl 2-[(1-phenyl-1H-imidazol-2-yl)sulfanyl]acetate (CAS 478046-08-1) is a chemical compound with molecular formula C15H18N2O2S and molecular weight 290.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-(1-phenylimidazol-2-yl)sulfanylacetate
Also Known As: tert-butyl 2-[(1-phenyl-1H-imidazol-2-yl)sulfanyl]acetate, tert-butyl 2-(1-phenylimidazol-2-yl)sulfanylacetate, 4R-0026, tert-butyl2-[(1-phenyl-1H-imidazol-2-yl)sulfanyl]acetate
| Molecular Formula | C15H18N2O2S |
|---|---|
| Molecular Weight | 290.11 g/mol |
| LogP | 3.3061 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 290.1089 |
| Heavy Atoms | 20 |
| Complexity | 573.0595 |
Chemical Identifiers
| CAS Number | 478046-08-1 |
|---|---|
| SMILES | CC(C)(C)OC(=O)CSC1=NC=CN1C2=CC=CC=C2 |
Product Overview
tert-butyl 2-[(1-phenyl-1H-imidazol-2-yl)sulfanyl]acetate (CAS 478046-08-1), with molecular formula C15H18N2O2S and molecular weight 290.11 g/mol. IUPAC: tert-butyl 2-(1-phenylimidazol-2-yl)sulfanylacetate.
Chemical Property Profile of tert-butyl 2-[(1-phenyl-1H-imidazol-2-yl)sulfanyl]acetate
Property Insights of tert-butyl 2-[(1-phenyl-1H-imidazol-2-yl)sulfanyl]acetate
The XLogP value of 3.3061 indicates that tert-butyl 2-[(1-phenyl-1H-imidazol-2-yl)sulfanyl]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.12 Ų, tert-butyl 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, tert-butyl 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 tert-butyl 2-[(1-phenyl-1H-imidazol-2-yl)sulfanyl]acetate?
The CAS number of tert-butyl 2-[(1-phenyl-1H-imidazol-2-yl)sulfanyl]acetate is 478046-08-1.
What is the molecular formula of tert-butyl 2-[(1-phenyl-1H-imidazol-2-yl)sulfanyl]acetate?
The molecular formula of tert-butyl 2-[(1-phenyl-1H-imidazol-2-yl)sulfanyl]acetate is C15H18N2O2S.
What is the molecular weight of tert-butyl 2-[(1-phenyl-1H-imidazol-2-yl)sulfanyl]acetate?
The molecular weight of tert-butyl 2-[(1-phenyl-1H-imidazol-2-yl)sulfanyl]acetate is 290.11 g/mol.
Where can I buy tert-butyl 2-[(1-phenyl-1H-imidazol-2-yl)sulfanyl]acetate?
You can request a quote for tert-butyl 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 tert-butyl 2-[(1-phenyl-1H-imidazol-2-yl)sulfanyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl 2-[(1-phenyl-1H-imidazol-2-yl)sulfanyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.