丙帕酯
TL;DR: 丙帕酯 (CAS 7036-58-0) is a chemical compound with molecular formula C15H18N2O2 and molecular weight 258.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丙帕酯
propyl 3-(1-phenylethyl)imidazole-4-carboxylate
Also Known As: Propoxate, Propoxato, Propoxatum, Propoxate [INN], Propoxatum [INN-Latin]
| Molecular Formula | C15H18N2O2 |
|---|---|
| Molecular Weight | 258.14 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 258.13684 |
| Heavy Atoms | 19 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 7036-58-0 |
|---|---|
| SMILES | CCCOC(=O)C1=CN=CN1C(C)C2=CC=CC=C2 |
| InChIKey | LKGPZAQFNYKISK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丙帕酯 (CAS 7036-58-0), with molecular formula C15H18N2O2 and molecular weight 258.14 g/mol. IUPAC: propyl 3-(1-phenylethyl)imidazole-4-carboxylate.
Chemical Property Profile of 丙帕酯
Property Insights of 丙帕酯
The XLogP value of 3.6 indicates that 丙帕酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.1 Ų, 丙帕酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丙帕酯 has 0 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 丙帕酯?
The CAS number of 丙帕酯 is 7036-58-0.
What is the molecular formula of 丙帕酯?
The molecular formula of 丙帕酯 is C15H18N2O2.
What is the molecular weight of 丙帕酯?
The molecular weight of 丙帕酯 is 258.14 g/mol.
Where can I buy 丙帕酯?
You can request a quote for 丙帕酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丙帕酯?
Yes, KEHONG BIO provides custom synthesis services for 丙帕酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.