Methyl 1-(1-phenylpropyl)-1H-imidazole-5-carboxylate--hydrogen chloride (1/1)
TL;DR: Methyl 1-(1-phenylpropyl)-1H-imidazole-5-carboxylate--hydrogen chloride (1/1) (CAS 7126-99-0) is a chemical compound with molecular formula C14H17ClN2O2 and molecular weight 280.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(1-phenylpropyl)imidazole-4-carboxylate;hydrochloride
Also Known As: DL-1-(alpha-Ethylbenzyl)imidazole-5-carboxylic acid methyl ester hydrochloride, Imidazole-5-carboxylic acid, 1-(alpha-ethylbenzyl)-, methyl ester, hydrochloride, DL-, methyl 3-(1-phenylpropyl)imidazole-4-carboxylate hydrochloride, Methyl 1-(1-phenylpropyl)-1H-imidazole-5-carboxylate--hydrogen chloride (1/1), Imidazole-5-carboxylic acid, 1-(.alpha.-ethylbenzyl)-, methyl ester, monohydrochloride, (.+.)-
| Molecular Formula | C14H17ClN2O2 |
|---|---|
| Molecular Weight | 280.10 g/mol |
| LogP | 3.0909 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 280.09787 |
| Heavy Atoms | 19 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 7126-99-0 |
|---|---|
| SMILES | CCC(C1=CC=CC=C1)N2C=NC=C2C(=O)OC.Cl |
| InChIKey | NBAVCXTUQICNDF-UHFFFAOYSA-N |
Product Overview
Methyl 1-(1-phenylpropyl)-1H-imidazole-5-carboxylate--hydrogen chloride (1/1) (CAS 7126-99-0), with molecular formula C14H17ClN2O2 and molecular weight 280.10 g/mol. IUPAC: methyl 3-(1-phenylpropyl)imidazole-4-carboxylate;hydrochloride.
Chemical Property Profile of Methyl 1-(1-phenylpropyl)-1H-imidazole-5-carboxylate--hydrogen chloride (1/1)
Property Insights of Methyl 1-(1-phenylpropyl)-1H-imidazole-5-carboxylate--hydrogen chloride (1/1)
The XLogP value of 3.0909 indicates that Methyl 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, Methyl 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, Methyl 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 Methyl 1-(1-phenylpropyl)-1H-imidazole-5-carboxylate--hydrogen chloride (1/1)?
The CAS number of Methyl 1-(1-phenylpropyl)-1H-imidazole-5-carboxylate--hydrogen chloride (1/1) is 7126-99-0.
What is the molecular formula of Methyl 1-(1-phenylpropyl)-1H-imidazole-5-carboxylate--hydrogen chloride (1/1)?
The molecular formula of Methyl 1-(1-phenylpropyl)-1H-imidazole-5-carboxylate--hydrogen chloride (1/1) is C14H17ClN2O2.
What is the molecular weight of Methyl 1-(1-phenylpropyl)-1H-imidazole-5-carboxylate--hydrogen chloride (1/1)?
The molecular weight of Methyl 1-(1-phenylpropyl)-1H-imidazole-5-carboxylate--hydrogen chloride (1/1) is 280.10 g/mol.
Where can I buy Methyl 1-(1-phenylpropyl)-1H-imidazole-5-carboxylate--hydrogen chloride (1/1)?
You can request a quote for Methyl 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 Methyl 1-(1-phenylpropyl)-1H-imidazole-5-carboxylate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for Methyl 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.