3-Allyl-4-methoxybenzoic acid
TL;DR: 3-Allyl-4-methoxybenzoic acid (CAS 7501-09-9) is a chemical compound with molecular formula C11H12O3 and molecular weight 192.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxy-3-prop-2-enylbenzoic acid
Also Known As: 3-Allyl-4-methoxybenzoic acid, 3-Allyl-4-methoxy-benzoic acid, 4-methoxy-3-prop-2-enylbenzoic acid, 4-methoxy-3-(prop-2-en-1-yl)benzoic acid, 3-Allyl-4-methoxybenzoicacid
| Molecular Formula | C11H12O3 |
|---|---|
| Molecular Weight | 192.08 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 192.07864 |
| Heavy Atoms | 14 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 7501-09-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)O)CC=C |
| InChIKey | LGIGQNDSEONVRB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Allyl-4-methoxybenzoic acid (CAS 7501-09-9), with molecular formula C11H12O3 and molecular weight 192.08 g/mol. IUPAC: 4-methoxy-3-prop-2-enylbenzoic acid.
Chemical Property Profile of 3-Allyl-4-methoxybenzoic acid
Property Insights of 3-Allyl-4-methoxybenzoic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Allyl-4-methoxybenzoic acid. With a topological polar surface area (TPSA) of 46.5 Ų, 3-Allyl-4-methoxybenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Allyl-4-methoxybenzoic 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 3-Allyl-4-methoxybenzoic acid?
The CAS number of 3-Allyl-4-methoxybenzoic acid is 7501-09-9.
What is the molecular formula of 3-Allyl-4-methoxybenzoic acid?
The molecular formula of 3-Allyl-4-methoxybenzoic acid is C11H12O3.
What is the molecular weight of 3-Allyl-4-methoxybenzoic acid?
The molecular weight of 3-Allyl-4-methoxybenzoic acid is 192.08 g/mol.
Where can I buy 3-Allyl-4-methoxybenzoic acid?
You can request a quote for 3-Allyl-4-methoxybenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Allyl-4-methoxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Allyl-4-methoxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.