Benzoic acid, p-chloro-, imidazol-4-ylmethyl ester, monohydrochloride
TL;DR: Benzoic acid, p-chloro-, imidazol-4-ylmethyl ester, monohydrochloride (CAS 18429-75-9) is a chemical compound with molecular formula C11H10Cl2N2O2 and molecular weight 272.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1H-imidazol-3-ium-5-ylmethyl 4-chlorobenzoate chloride
Also Known As: p-Chlorobenzoic acid imidazol-4-ylmethyl ester hydrochloride, BENZOIC ACID, p-CHLORO-, IMIDAZOL-4-YLMETHYL ESTER, MONOHYDROCHLORIDE, Imidazole-4-methanol, p-chlorobenzoate (ester), hydrochloride, 1H-imidazol-3-ium-5-ylmethyl 4-chlorobenzoate chloride, RefChem:1079313
| Molecular Formula | C11H10Cl2N2O2 |
|---|---|
| Molecular Weight | 272.01 g/mol |
| LogP | -1.16 |
| Topological Polar Surface Area | 56.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 272.01193 |
| Heavy Atoms | 17 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 18429-75-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)OCC2=C[NH+]=CN2)Cl.[Cl-] |
| InChIKey | HPZUFKKUJXKTPF-UHFFFAOYSA-N |
Product Overview
Benzoic acid, p-chloro-, imidazol-4-ylmethyl ester, monohydrochloride (CAS 18429-75-9), with molecular formula C11H10Cl2N2O2 and molecular weight 272.01 g/mol. IUPAC: 1H-imidazol-3-ium-5-ylmethyl 4-chlorobenzoate chloride.
Chemical Property Profile of Benzoic acid, p-chloro-, imidazol-4-ylmethyl ester, monohydrochloride
Property Insights of Benzoic acid, p-chloro-, imidazol-4-ylmethyl ester, monohydrochloride
The XLogP value of -1.16 indicates that Benzoic acid, p-chloro-, imidazol-4-ylmethyl ester, monohydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 56.2 Ų, Benzoic acid, p-chloro-, imidazol-4-ylmethyl ester, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, p-chloro-, imidazol-4-ylmethyl 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 Benzoic acid, p-chloro-, imidazol-4-ylmethyl ester, monohydrochloride?
The CAS number of Benzoic acid, p-chloro-, imidazol-4-ylmethyl ester, monohydrochloride is 18429-75-9.
What is the molecular formula of Benzoic acid, p-chloro-, imidazol-4-ylmethyl ester, monohydrochloride?
The molecular formula of Benzoic acid, p-chloro-, imidazol-4-ylmethyl ester, monohydrochloride is C11H10Cl2N2O2.
What is the molecular weight of Benzoic acid, p-chloro-, imidazol-4-ylmethyl ester, monohydrochloride?
The molecular weight of Benzoic acid, p-chloro-, imidazol-4-ylmethyl ester, monohydrochloride is 272.01 g/mol.
Where can I buy Benzoic acid, p-chloro-, imidazol-4-ylmethyl ester, monohydrochloride?
You can request a quote for Benzoic acid, p-chloro-, 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 Benzoic acid, p-chloro-, imidazol-4-ylmethyl ester, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, p-chloro-, imidazol-4-ylmethyl ester, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.