奥扎格雷
TL;DR: 奥扎格雷 (CAS 82571-53-7) 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.
奥扎格雷
3-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enoic acid
Also Known As: ozagrel, Cis-Ozagrel, Ozagrel [INN], (E)-3-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enoic acid, 3-[4-(1-imidazolylmethyl)phenyl]-2-propenoic acid
| Molecular Formula | C13H12N2O2 |
|---|---|
| Molecular Weight | 228.09 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 228.08987 |
| Heavy Atoms | 17 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 82571-53-7 |
|---|---|
| SMILES | C1=CC(=CC=C1CN2C=CN=C2)C=CC(=O)O |
| InChIKey | SHZKQBHERIJWAO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
奥扎格雷 (CAS 82571-53-7), with molecular formula C13H12N2O2 and molecular weight 228.09 g/mol. IUPAC: 3-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enoic acid.
Chemical Property Profile of 奥扎格雷
Property Insights of 奥扎格雷
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 奥扎格雷. With a topological polar surface area (TPSA) of 55.1 Ų, 奥扎格雷 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 奥扎格雷 has 1 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 奥扎格雷?
The CAS number of 奥扎格雷 is 82571-53-7.
What is the molecular formula of 奥扎格雷?
The molecular formula of 奥扎格雷 is C13H12N2O2.
What is the molecular weight of 奥扎格雷?
The molecular weight of 奥扎格雷 is 228.09 g/mol.
Where can I buy 奥扎格雷?
You can request a quote for 奥扎格雷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 奥扎格雷?
Yes, KEHONG BIO provides custom synthesis services for 奥扎格雷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.