![(E)-3-[4-(Imidazol-1-ylmethyl)phenyl]propenoic acid hydrochloride hydrate structure](/static/products/7871/78712-43-3.webp)
(E)-3-[4-(Imidazol-1-ylmethyl)phenyl]propenoic acid hydrochloride hydrate
TL;DR: (E)-3-[4-(Imidazol-1-ylmethyl)phenyl]propenoic acid hydrochloride hydrate (CAS 78712-43-3) is a chemical compound with molecular formula C13H13ClN2O2 and molecular weight 264.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enoic acid;hydrochloride
Also Known As: ozagrel hydrochloride, Xanbon, Ozagrel hydrochloride hydrate, Ozagrel (hydrochloride), OKY-046 hydrochloride;Xanbon
| Molecular Formula | C13H13ClN2O2 |
|---|---|
| Molecular Weight | 264.07 g/mol |
| LogP | 2.45 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 264.06656 |
| Heavy Atoms | 18 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 78712-43-3 |
|---|---|
| SMILES | C1=CC(=CC=C1CN2C=CN=C2)C=CC(=O)O.Cl |
| InChIKey | CWKFWBJJNNPGAM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(E)-3-[4-(Imidazol-1-ylmethyl)phenyl]propenoic acid hydrochloride hydrate (CAS 78712-43-3), with molecular formula C13H13ClN2O2 and molecular weight 264.07 g/mol. IUPAC: 3-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enoic acid;hydrochloride.
Chemical Property Profile of (E)-3-[4-(Imidazol-1-ylmethyl)phenyl]propenoic acid hydrochloride hydrate
Property Insights of (E)-3-[4-(Imidazol-1-ylmethyl)phenyl]propenoic acid hydrochloride hydrate
The XLogP value of 2.45 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-[4-(Imidazol-1-ylmethyl)phenyl]propenoic acid hydrochloride hydrate. With a topological polar surface area (TPSA) of 55.1 Ų, (E)-3-[4-(Imidazol-1-ylmethyl)phenyl]propenoic acid hydrochloride hydrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-3-[4-(Imidazol-1-ylmethyl)phenyl]propenoic acid hydrochloride hydrate 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 (E)-3-[4-(Imidazol-1-ylmethyl)phenyl]propenoic acid hydrochloride hydrate?
The CAS number of (E)-3-[4-(Imidazol-1-ylmethyl)phenyl]propenoic acid hydrochloride hydrate is 78712-43-3.
What is the molecular formula of (E)-3-[4-(Imidazol-1-ylmethyl)phenyl]propenoic acid hydrochloride hydrate?
The molecular formula of (E)-3-[4-(Imidazol-1-ylmethyl)phenyl]propenoic acid hydrochloride hydrate is C13H13ClN2O2.
What is the molecular weight of (E)-3-[4-(Imidazol-1-ylmethyl)phenyl]propenoic acid hydrochloride hydrate?
The molecular weight of (E)-3-[4-(Imidazol-1-ylmethyl)phenyl]propenoic acid hydrochloride hydrate is 264.07 g/mol.
Where can I buy (E)-3-[4-(Imidazol-1-ylmethyl)phenyl]propenoic acid hydrochloride hydrate?
You can request a quote for (E)-3-[4-(Imidazol-1-ylmethyl)phenyl]propenoic acid hydrochloride hydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-[4-(Imidazol-1-ylmethyl)phenyl]propenoic acid hydrochloride hydrate?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-[4-(Imidazol-1-ylmethyl)phenyl]propenoic acid hydrochloride hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.