3-Methoxybenzoic acid, allyl ester
TL;DR: 3-Methoxybenzoic acid, allyl ester (CAS 157398-92-0) 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.
prop-2-enyl 3-methoxybenzoate
Also Known As: Allyl 3-methoxybenzoate, allyl-3-methoxybenzoate, Allyl 3-methoxybenzoate #, prop-2-enyl 3-methoxybenzoate, 3-Methoxybenzoic acid, allyl ester
| Molecular Formula | C11H12O3 |
|---|---|
| Molecular Weight | 192.08 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 192.07864 |
| Heavy Atoms | 14 |
| Complexity | 201.0 |
Chemical Identifiers
| CAS Number | 157398-92-0 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C(=O)OCC=C |
| InChIKey | YVYUGGDSHHVJJT-UHFFFAOYSA-N |
Product Overview
3-Methoxybenzoic acid, allyl ester (CAS 157398-92-0), with molecular formula C11H12O3 and molecular weight 192.08 g/mol. IUPAC: prop-2-enyl 3-methoxybenzoate.
Chemical Property Profile of 3-Methoxybenzoic acid, allyl ester
Property Insights of 3-Methoxybenzoic acid, allyl ester
The XLogP value of 3.0 indicates that 3-Methoxybenzoic acid, allyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 3-Methoxybenzoic acid, allyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methoxybenzoic acid, allyl ester has 0 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-Methoxybenzoic acid, allyl ester?
The CAS number of 3-Methoxybenzoic acid, allyl ester is 157398-92-0.
What is the molecular formula of 3-Methoxybenzoic acid, allyl ester?
The molecular formula of 3-Methoxybenzoic acid, allyl ester is C11H12O3.
What is the molecular weight of 3-Methoxybenzoic acid, allyl ester?
The molecular weight of 3-Methoxybenzoic acid, allyl ester is 192.08 g/mol.
Where can I buy 3-Methoxybenzoic acid, allyl ester?
You can request a quote for 3-Methoxybenzoic acid, allyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methoxybenzoic acid, allyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Methoxybenzoic acid, allyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.