2-Allylbenzoic Acid
TL;DR: 2-Allylbenzoic Acid (CAS 3609-46-9) is a chemical compound with molecular formula C10H10O2 and molecular weight 162.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-prop-2-enylbenzoic acid
Also Known As: 2-allylbenzoic acid, 2-prop-2-enylbenzoic Acid, 2-(2-PROPENYL)BENZOIC ACID, o-allylbenzoic acid, 2-ALLYL-BENZOIC ACID
| Molecular Formula | C10H10O2 |
|---|---|
| Molecular Weight | 162.07 g/mol |
| LogP | 2.1133 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 162.06808 |
| Heavy Atoms | 12 |
| Complexity | 302.46182 |
Chemical Identifiers
| CAS Number | 3609-46-9 |
|---|---|
| SMILES | C=CCC1=CC=CC=C1C(=O)O |
Product Overview
2-Allylbenzoic Acid (CAS 3609-46-9), with molecular formula C10H10O2 and molecular weight 162.07 g/mol. IUPAC: 2-prop-2-enylbenzoic acid.
Chemical Property Profile of 2-Allylbenzoic Acid
Property Insights of 2-Allylbenzoic Acid
The XLogP value of 2.1133 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Allylbenzoic Acid. With a topological polar surface area (TPSA) of 37.3 Ų, 2-Allylbenzoic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Allylbenzoic Acid has 1 hydrogen bond donor(s) and 1 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 2-Allylbenzoic Acid?
The CAS number of 2-Allylbenzoic Acid is 3609-46-9.
What is the molecular formula of 2-Allylbenzoic Acid?
The molecular formula of 2-Allylbenzoic Acid is C10H10O2.
What is the molecular weight of 2-Allylbenzoic Acid?
The molecular weight of 2-Allylbenzoic Acid is 162.07 g/mol.
Where can I buy 2-Allylbenzoic Acid?
You can request a quote for 2-Allylbenzoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Allylbenzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Allylbenzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.