Imidazole-4-methanol, benzoate (ester), monohydrochloride
TL;DR: Imidazole-4-methanol, benzoate (ester), monohydrochloride (CAS 18429-73-7) is a chemical compound with molecular formula C11H11ClN2O2 and molecular weight 238.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1H-imidazol-5-ylmethyl benzoate;hydrochloride
Also Known As: Benzoic acid, imidazol-4-ylmethyl ester, hydrochloride, Imidazole-4-methanol, benzoate (ester), monohydrochloride, 1H-imidazol-5-ylmethyl benzoate hydrochloride, 1H-imidazol-5-ylmethyl benzoate,hydrochloride, (1H-Imidazol-5-yl)methyl benzoate--hydrogen chloride (1/1)
| Molecular Formula | C11H11ClN2O2 |
|---|---|
| Molecular Weight | 238.05 g/mol |
| LogP | 2.1885 |
| Topological Polar Surface Area | 55.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 238.0509 |
| Heavy Atoms | 16 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 18429-73-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OCC2=CN=CN2.Cl |
| InChIKey | MBSUQHJMCVLUPF-UHFFFAOYSA-N |
Product Overview
Imidazole-4-methanol, benzoate (ester), monohydrochloride (CAS 18429-73-7), with molecular formula C11H11ClN2O2 and molecular weight 238.05 g/mol. IUPAC: 1H-imidazol-5-ylmethyl benzoate;hydrochloride.
Chemical Property Profile of Imidazole-4-methanol, benzoate (ester), monohydrochloride
Property Insights of Imidazole-4-methanol, benzoate (ester), monohydrochloride
The XLogP value of 2.1885 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Imidazole-4-methanol, benzoate (ester), monohydrochloride. With a topological polar surface area (TPSA) of 55.0 Ų, Imidazole-4-methanol, benzoate (ester), monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Imidazole-4-methanol, benzoate (ester), monohydrochloride has 2 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-4-methanol, benzoate (ester), monohydrochloride?
The CAS number of Imidazole-4-methanol, benzoate (ester), monohydrochloride is 18429-73-7.
What is the molecular formula of Imidazole-4-methanol, benzoate (ester), monohydrochloride?
The molecular formula of Imidazole-4-methanol, benzoate (ester), monohydrochloride is C11H11ClN2O2.
What is the molecular weight of Imidazole-4-methanol, benzoate (ester), monohydrochloride?
The molecular weight of Imidazole-4-methanol, benzoate (ester), monohydrochloride is 238.05 g/mol.
Where can I buy Imidazole-4-methanol, benzoate (ester), monohydrochloride?
You can request a quote for Imidazole-4-methanol, benzoate (ester), monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Imidazole-4-methanol, benzoate (ester), monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Imidazole-4-methanol, benzoate (ester), monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.