Ethyl 1-(1-phenylpropyl)-1H-imidazole-5-carboxylate--hydrogen chloride (1/1)
TL;DR: Ethyl 1-(1-phenylpropyl)-1H-imidazole-5-carboxylate--hydrogen chloride (1/1) (CAS 7036-64-8) is a chemical compound with molecular formula C15H19ClN2O2 and molecular weight 294.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(1-phenylpropyl)imidazole-4-carboxylate;hydrochloride
Also Known As: DL-1-(alpha-Ethylbenzyl)imidazole-5-carboxylic acid ethyl ester hydrochloride, Imidazole-5-carboxylic acid, 1-(alpha-ethylbenzyl)-, ethyl ester, hydrochloride, DL-, Ethyl 1-(1-phenylpropyl)-1H-imidazole-5-carboxylate--hydrogen chloride (1/1), ethyl 3-(1-phenylpropyl)imidazole-4-carboxylate hydrochloride, Imidazole-5-carboxylic acid, 1-(.alpha.-ethylbenzyl)-, ethyl ester, monohydrochloride, (.+.)-
| Molecular Formula | C15H19ClN2O2 |
|---|---|
| Molecular Weight | 294.11 g/mol |
| LogP | 3.481 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 294.1135 |
| Heavy Atoms | 20 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 7036-64-8 |
|---|---|
| SMILES | CCC(C1=CC=CC=C1)N2C=NC=C2C(=O)OCC.Cl |
| InChIKey | PBWQRWQPTIRQNY-UHFFFAOYSA-N |
Product Overview
Ethyl 1-(1-phenylpropyl)-1H-imidazole-5-carboxylate--hydrogen chloride (1/1) (CAS 7036-64-8), with molecular formula C15H19ClN2O2 and molecular weight 294.11 g/mol. IUPAC: ethyl 3-(1-phenylpropyl)imidazole-4-carboxylate;hydrochloride.
Chemical Property Profile of Ethyl 1-(1-phenylpropyl)-1H-imidazole-5-carboxylate--hydrogen chloride (1/1)
Property Insights of Ethyl 1-(1-phenylpropyl)-1H-imidazole-5-carboxylate--hydrogen chloride (1/1)
The XLogP value of 3.481 indicates that Ethyl 1-(1-phenylpropyl)-1H-imidazole-5-carboxylate--hydrogen chloride (1/1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.1 Ų, Ethyl 1-(1-phenylpropyl)-1H-imidazole-5-carboxylate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1-(1-phenylpropyl)-1H-imidazole-5-carboxylate--hydrogen chloride (1/1) 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 Ethyl 1-(1-phenylpropyl)-1H-imidazole-5-carboxylate--hydrogen chloride (1/1)?
The CAS number of Ethyl 1-(1-phenylpropyl)-1H-imidazole-5-carboxylate--hydrogen chloride (1/1) is 7036-64-8.
What is the molecular formula of Ethyl 1-(1-phenylpropyl)-1H-imidazole-5-carboxylate--hydrogen chloride (1/1)?
The molecular formula of Ethyl 1-(1-phenylpropyl)-1H-imidazole-5-carboxylate--hydrogen chloride (1/1) is C15H19ClN2O2.
What is the molecular weight of Ethyl 1-(1-phenylpropyl)-1H-imidazole-5-carboxylate--hydrogen chloride (1/1)?
The molecular weight of Ethyl 1-(1-phenylpropyl)-1H-imidazole-5-carboxylate--hydrogen chloride (1/1) is 294.11 g/mol.
Where can I buy Ethyl 1-(1-phenylpropyl)-1H-imidazole-5-carboxylate--hydrogen chloride (1/1)?
You can request a quote for Ethyl 1-(1-phenylpropyl)-1H-imidazole-5-carboxylate--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1-(1-phenylpropyl)-1H-imidazole-5-carboxylate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-(1-phenylpropyl)-1H-imidazole-5-carboxylate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.