Imidazole-5-carboxylic acid, 1-benzyl-, methyl ester, hydrochloride
TL;DR: Imidazole-5-carboxylic acid, 1-benzyl-, methyl ester, hydrochloride (CAS 3157-32-2) is a chemical compound with molecular formula C12H13ClN2O2 and molecular weight 252.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-benzylimidazole-4-carboxylate;hydrochloride
Also Known As: 1-Benzylimidazole-5-carboxylic acid methyl ester hydrochloride, Imidazole-5-carboxylic acid, 1-benzyl-, methyl ester, hydrochloride, methyl 3-benzylimidazole-4-carboxylate hydrochloride, methyl 3-benzylimidazole-4-carboxylate,hydrochloride, Methyl 1-benzyl-1H-imidazole-5-carboxylate--hydrogen chloride (1/1)
| Molecular Formula | C12H13ClN2O2 |
|---|---|
| Molecular Weight | 252.07 g/mol |
| LogP | 2.1398 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.06656 |
| Heavy Atoms | 17 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 3157-32-2 |
|---|---|
| SMILES | COC(=O)C1=CN=CN1CC2=CC=CC=C2.Cl |
| InChIKey | PTWSIPBIRSPUSI-UHFFFAOYSA-N |
Product Overview
Imidazole-5-carboxylic acid, 1-benzyl-, methyl ester, hydrochloride (CAS 3157-32-2), with molecular formula C12H13ClN2O2 and molecular weight 252.07 g/mol. IUPAC: methyl 3-benzylimidazole-4-carboxylate;hydrochloride.
Chemical Property Profile of Imidazole-5-carboxylic acid, 1-benzyl-, methyl ester, hydrochloride
Property Insights of Imidazole-5-carboxylic acid, 1-benzyl-, methyl ester, hydrochloride
The XLogP value of 2.1398 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Imidazole-5-carboxylic acid, 1-benzyl-, methyl ester, hydrochloride. With a topological polar surface area (TPSA) of 44.1 Ų, Imidazole-5-carboxylic acid, 1-benzyl-, methyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Imidazole-5-carboxylic acid, 1-benzyl-, methyl ester, hydrochloride 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 Imidazole-5-carboxylic acid, 1-benzyl-, methyl ester, hydrochloride?
The CAS number of Imidazole-5-carboxylic acid, 1-benzyl-, methyl ester, hydrochloride is 3157-32-2.
What is the molecular formula of Imidazole-5-carboxylic acid, 1-benzyl-, methyl ester, hydrochloride?
The molecular formula of Imidazole-5-carboxylic acid, 1-benzyl-, methyl ester, hydrochloride is C12H13ClN2O2.
What is the molecular weight of Imidazole-5-carboxylic acid, 1-benzyl-, methyl ester, hydrochloride?
The molecular weight of Imidazole-5-carboxylic acid, 1-benzyl-, methyl ester, hydrochloride is 252.07 g/mol.
Where can I buy Imidazole-5-carboxylic acid, 1-benzyl-, methyl ester, hydrochloride?
You can request a quote for Imidazole-5-carboxylic acid, 1-benzyl-, methyl ester, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Imidazole-5-carboxylic acid, 1-benzyl-, methyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Imidazole-5-carboxylic acid, 1-benzyl-, methyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.