Salicylic acid, imidazol-4-ylmethyl ester, monohydrochloride
TL;DR: Salicylic acid, imidazol-4-ylmethyl ester, monohydrochloride (CAS 18429-50-0) is a chemical compound with molecular formula C11H11ClN2O3 and molecular weight 254.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1H-imidazol-5-ylmethyl 2-hydroxybenzoate;hydrochloride
Also Known As: Salicylic acid, imidazol-4-ylmethyl ester, monohydrochloride, Imidazole-4-methanol, salicylate (ester), hydrochloride, 1H-imidazol-5-ylmethyl 2-hydroxybenzoate hydrochloride, 1H-imidazol-5-ylmethyl 2-hydroxybenzoate,hydrochloride, (1H-Imidazol-5-yl)methyl 2-hydroxybenzoate--hydrogen chloride (1/1)
| Molecular Formula | C11H11ClN2O3 |
|---|---|
| Molecular Weight | 254.05 g/mol |
| LogP | 1.8941 |
| Topological Polar Surface Area | 75.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 254.04582 |
| Heavy Atoms | 17 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 18429-50-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)OCC2=CN=CN2)O.Cl |
| InChIKey | BXNHAHOUWPOWGA-UHFFFAOYSA-N |
Product Overview
Salicylic acid, imidazol-4-ylmethyl ester, monohydrochloride (CAS 18429-50-0), with molecular formula C11H11ClN2O3 and molecular weight 254.05 g/mol. IUPAC: 1H-imidazol-5-ylmethyl 2-hydroxybenzoate;hydrochloride.
Chemical Property Profile of Salicylic acid, imidazol-4-ylmethyl ester, monohydrochloride
Property Insights of Salicylic acid, imidazol-4-ylmethyl ester, monohydrochloride
The XLogP value of 1.8941 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Salicylic acid, imidazol-4-ylmethyl ester, monohydrochloride. The TPSA of 75.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Salicylic acid, imidazol-4-ylmethyl ester, monohydrochloride. Following Lipinski's Rule of Five, Salicylic acid, imidazol-4-ylmethyl ester, monohydrochloride has 3 hydrogen bond donor(s) and 4 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 Salicylic acid, imidazol-4-ylmethyl ester, monohydrochloride?
The CAS number of Salicylic acid, imidazol-4-ylmethyl ester, monohydrochloride is 18429-50-0.
What is the molecular formula of Salicylic acid, imidazol-4-ylmethyl ester, monohydrochloride?
The molecular formula of Salicylic acid, imidazol-4-ylmethyl ester, monohydrochloride is C11H11ClN2O3.
What is the molecular weight of Salicylic acid, imidazol-4-ylmethyl ester, monohydrochloride?
The molecular weight of Salicylic acid, imidazol-4-ylmethyl ester, monohydrochloride is 254.05 g/mol.
Where can I buy Salicylic acid, imidazol-4-ylmethyl ester, monohydrochloride?
You can request a quote for Salicylic acid, imidazol-4-ylmethyl ester, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Salicylic acid, imidazol-4-ylmethyl ester, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Salicylic acid, imidazol-4-ylmethyl ester, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.