3-(3-Imidazol-1-ylmethyl-phenyl)-acrylic acid; hydrochloride
TL;DR: 3-(3-Imidazol-1-ylmethyl-phenyl)-acrylic acid; hydrochloride (CAS 78712-44-4) is a chemical compound with molecular formula C13H12N2O2 and molecular weight 228.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[3-(imidazol-1-ylmethyl)phenyl]prop-2-enoic acid
Also Known As: Ozagrel Impurity 33, (E)-3-(3-((1H-imidazol-1-yl)methyl)phenyl)acrylic acid, (E)-3-[3-(imidazol-1-ylmethyl)phenyl]prop-2-enoic Acid, 3-(3-Imidazol-1-ylmethyl-phenyl)-acrylic acid; hydrochloride
| Molecular Formula | C13H12N2O2 |
|---|---|
| Molecular Weight | 228.09 g/mol |
| LogP | 2.0292 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 228.08987 |
| Heavy Atoms | 17 |
| Complexity | 530.1123 |
Chemical Identifiers
| CAS Number | 78712-44-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)/C=C/C(=O)O)CN2C=CN=C2 |
Product Overview
3-(3-Imidazol-1-ylmethyl-phenyl)-acrylic acid; hydrochloride (CAS 78712-44-4), with molecular formula C13H12N2O2 and molecular weight 228.09 g/mol. IUPAC: (E)-3-[3-(imidazol-1-ylmethyl)phenyl]prop-2-enoic acid.
Chemical Property Profile of 3-(3-Imidazol-1-ylmethyl-phenyl)-acrylic acid; hydrochloride
Property Insights of 3-(3-Imidazol-1-ylmethyl-phenyl)-acrylic acid; hydrochloride
The XLogP value of 2.0292 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Imidazol-1-ylmethyl-phenyl)-acrylic acid; hydrochloride. With a topological polar surface area (TPSA) of 55.12 Ų, 3-(3-Imidazol-1-ylmethyl-phenyl)-acrylic acid; hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-Imidazol-1-ylmethyl-phenyl)-acrylic acid; hydrochloride has 1 hydrogen bond donor(s) and 2 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 3-(3-Imidazol-1-ylmethyl-phenyl)-acrylic acid; hydrochloride?
The CAS number of 3-(3-Imidazol-1-ylmethyl-phenyl)-acrylic acid; hydrochloride is 78712-44-4.
What is the molecular formula of 3-(3-Imidazol-1-ylmethyl-phenyl)-acrylic acid; hydrochloride?
The molecular formula of 3-(3-Imidazol-1-ylmethyl-phenyl)-acrylic acid; hydrochloride is C13H12N2O2.
What is the molecular weight of 3-(3-Imidazol-1-ylmethyl-phenyl)-acrylic acid; hydrochloride?
The molecular weight of 3-(3-Imidazol-1-ylmethyl-phenyl)-acrylic acid; hydrochloride is 228.09 g/mol.
Where can I buy 3-(3-Imidazol-1-ylmethyl-phenyl)-acrylic acid; hydrochloride?
You can request a quote for 3-(3-Imidazol-1-ylmethyl-phenyl)-acrylic acid; hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Imidazol-1-ylmethyl-phenyl)-acrylic acid; hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Imidazol-1-ylmethyl-phenyl)-acrylic acid; hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.