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4-Oxo-1,4,5,6-tetrahydro[1,1'-biphenyl]-2-carboxylic acid
TL;DR: 4-Oxo-1,4,5,6-tetrahydro[1,1'-biphenyl]-2-carboxylic acid (CAS 23673-46-3) is a chemical compound with molecular formula C13H12O3 and molecular weight 216.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-oxo-6-phenylcyclohexene-1-carboxylic acid
Also Known As: 3-oxo-6-phenylcyclohexene-1-carboxylic acid, 1-Cyclohexene-1-carboxylicacid,3-oxo-6-phenyl, 1-Cyclohexene-1-carboxylicacid, 3-oxo-6-phenyl-, (RS)-3-oxo-6-phenylcyclohex-1-ene-1-carboxylic acid, 4-Oxo-1,4,5,6-tetrahydro[1,1'-biphenyl]-2-carboxylic acid
| Molecular Formula | C13H12O3 |
|---|---|
| Molecular Weight | 216.08 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.07864 |
| Heavy Atoms | 16 |
| Complexity | 324.0 |
Chemical Identifiers
| CAS Number | 23673-46-3 |
|---|---|
| SMILES | C1CC(=O)C=C(C1C2=CC=CC=C2)C(=O)O |
| InChIKey | CNSIIZPEWAVOMI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Oxo-1,4,5,6-tetrahydro[1,1'-biphenyl]-2-carboxylic acid (CAS 23673-46-3), with molecular formula C13H12O3 and molecular weight 216.08 g/mol. IUPAC: 3-oxo-6-phenylcyclohexene-1-carboxylic acid.
Chemical Property Profile of 4-Oxo-1,4,5,6-tetrahydro[1,1'-biphenyl]-2-carboxylic acid
Property Insights of 4-Oxo-1,4,5,6-tetrahydro[1,1'-biphenyl]-2-carboxylic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Oxo-1,4,5,6-tetrahydro[1,1'-biphenyl]-2-carboxylic acid. With a topological polar surface area (TPSA) of 54.4 Ų, 4-Oxo-1,4,5,6-tetrahydro[1,1'-biphenyl]-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Oxo-1,4,5,6-tetrahydro[1,1'-biphenyl]-2-carboxylic acid 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 4-Oxo-1,4,5,6-tetrahydro[1,1'-biphenyl]-2-carboxylic acid?
The CAS number of 4-Oxo-1,4,5,6-tetrahydro[1,1'-biphenyl]-2-carboxylic acid is 23673-46-3.
What is the molecular formula of 4-Oxo-1,4,5,6-tetrahydro[1,1'-biphenyl]-2-carboxylic acid?
The molecular formula of 4-Oxo-1,4,5,6-tetrahydro[1,1'-biphenyl]-2-carboxylic acid is C13H12O3.
What is the molecular weight of 4-Oxo-1,4,5,6-tetrahydro[1,1'-biphenyl]-2-carboxylic acid?
The molecular weight of 4-Oxo-1,4,5,6-tetrahydro[1,1'-biphenyl]-2-carboxylic acid is 216.08 g/mol.
Where can I buy 4-Oxo-1,4,5,6-tetrahydro[1,1'-biphenyl]-2-carboxylic acid?
You can request a quote for 4-Oxo-1,4,5,6-tetrahydro[1,1'-biphenyl]-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Oxo-1,4,5,6-tetrahydro[1,1'-biphenyl]-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Oxo-1,4,5,6-tetrahydro[1,1'-biphenyl]-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.