o-Cinnamoylbenzoic acid
TL;DR: o-Cinnamoylbenzoic acid (CAS 6261-64-9) is a chemical compound with molecular formula C16H12O3 and molecular weight 252.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-phenylprop-2-enoyl)benzoic acid
Also Known As: o-cinnamoylbenzoic acid, 2-(3-phenylprop-2-enoyl)benzoic Acid, 2-[(E)-(3-Phenyl-acryloyl)]-benzoic acid, Benzoic acid, 2-(1-oxo-3-phenyl-2-propenyl)-, Benzoic acid, 2-[(2E)-1-oxo-3-phenyl-2-propenyl]-
| Molecular Formula | C16H12O3 |
|---|---|
| Molecular Weight | 252.08 g/mol |
| LogP | 3.2809 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.07864 |
| Heavy Atoms | 19 |
| Complexity | 627.45215 |
Chemical Identifiers
| CAS Number | 6261-64-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=CC(=O)C2=CC=CC=C2C(=O)O |
Product Overview
o-Cinnamoylbenzoic acid (CAS 6261-64-9), with molecular formula C16H12O3 and molecular weight 252.08 g/mol. IUPAC: 2-(3-phenylprop-2-enoyl)benzoic acid.
Chemical Property Profile of o-Cinnamoylbenzoic acid
Property Insights of o-Cinnamoylbenzoic acid
The XLogP value of 3.2809 indicates that o-Cinnamoylbenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.37 Ų, o-Cinnamoylbenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-Cinnamoylbenzoic acid 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 o-Cinnamoylbenzoic acid?
The CAS number of o-Cinnamoylbenzoic acid is 6261-64-9.
What is the molecular formula of o-Cinnamoylbenzoic acid?
The molecular formula of o-Cinnamoylbenzoic acid is C16H12O3.
What is the molecular weight of o-Cinnamoylbenzoic acid?
The molecular weight of o-Cinnamoylbenzoic acid is 252.08 g/mol.
Where can I buy o-Cinnamoylbenzoic acid?
You can request a quote for o-Cinnamoylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-Cinnamoylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for o-Cinnamoylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.