RefChem:348909
TL;DR: RefChem:348909 (CAS 7036-48-8) 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-(4-methylphenyl)ethyl]imidazole-4-carboxylate;hydrochloride
Also Known As: DL-1-(alpha,p-Dimethylbenzyl)imidazole-5-carboxylic acid methyl ester hydrochloride, Imidazole-5-carboxylic acid, 1-(alpha,p-dimethylbenzyl)-, methyl ester, hydrochloride, DL-, methyl 3-[1-(4-methylphenyl)ethyl]imidazole-4-carboxylate hydrochloride, Methyl 1-[1-(4-methylphenyl)ethyl]-1H-imidazole-5-carboxylate--hydrogen chloride (1/1), 1H-Imidazole-5-carboxylic acid, 1-[1-(4-methylphenyl)ethyl]-, methyl ester, monohydrochloride, (.+.)-
| Molecular Formula | C14H17ClN2O2 |
|---|---|
| Molecular Weight | 280.10 g/mol |
| LogP | 3.00922 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 280.09787 |
| Heavy Atoms | 19 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 7036-48-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(C)N2C=NC=C2C(=O)OC.Cl |
| InChIKey | XLLQVWSKPSMQSW-UHFFFAOYSA-N |
Product Overview
RefChem:348909 (CAS 7036-48-8), with molecular formula C14H17ClN2O2 and molecular weight 280.10 g/mol. IUPAC: methyl 3-[1-(4-methylphenyl)ethyl]imidazole-4-carboxylate;hydrochloride.
Chemical Property Profile of RefChem:348909
Property Insights of RefChem:348909
The XLogP value of 3.00922 indicates that RefChem:348909 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.1 Ų, RefChem:348909 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:348909 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 RefChem:348909?
The CAS number of RefChem:348909 is 7036-48-8.
What is the molecular formula of RefChem:348909?
The molecular formula of RefChem:348909 is C14H17ClN2O2.
What is the molecular weight of RefChem:348909?
The molecular weight of RefChem:348909 is 280.10 g/mol.
Where can I buy RefChem:348909?
You can request a quote for RefChem:348909 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:348909?
Yes, KEHONG BIO provides custom synthesis services for RefChem:348909 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.