Methyl 3-allyl-4-hydroxy-5-methoxybenzoate
TL;DR: Methyl 3-allyl-4-hydroxy-5-methoxybenzoate (CAS 647854-53-3) is a chemical compound with molecular formula C12H14O4 and molecular weight 222.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-hydroxy-3-methoxy-5-prop-2-enylbenzoate
Also Known As: methyl 3-allyl-4-hydroxy-5-methoxybenzoate, methyl 4-hydroxy-3-methoxy-5-(prop-2-en-1-yl)benzoate, methyl 4-hydroxy-3-methoxy-5-prop-2-enylbenzoate, methyl 3-allyl-4-hydroxy-5-methoxy-benzoate, J3.025.106G
| Molecular Formula | C12H14O4 |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 1.9159 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 222.0892 |
| Heavy Atoms | 16 |
| Complexity | 409.72495 |
Chemical Identifiers
| CAS Number | 647854-53-3 |
|---|---|
| SMILES | COC1=CC(=CC(=C1O)CC=C)C(=O)OC |
Product Overview
Methyl 3-allyl-4-hydroxy-5-methoxybenzoate (CAS 647854-53-3), with molecular formula C12H14O4 and molecular weight 222.09 g/mol. IUPAC: methyl 4-hydroxy-3-methoxy-5-prop-2-enylbenzoate.
Chemical Property Profile of Methyl 3-allyl-4-hydroxy-5-methoxybenzoate
Property Insights of Methyl 3-allyl-4-hydroxy-5-methoxybenzoate
The XLogP value of 1.9159 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-allyl-4-hydroxy-5-methoxybenzoate. With a topological polar surface area (TPSA) of 55.76 Ų, Methyl 3-allyl-4-hydroxy-5-methoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-allyl-4-hydroxy-5-methoxybenzoate has 1 hydrogen bond donor(s) and 4 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 Methyl 3-allyl-4-hydroxy-5-methoxybenzoate?
The CAS number of Methyl 3-allyl-4-hydroxy-5-methoxybenzoate is 647854-53-3.
What is the molecular formula of Methyl 3-allyl-4-hydroxy-5-methoxybenzoate?
The molecular formula of Methyl 3-allyl-4-hydroxy-5-methoxybenzoate is C12H14O4.
What is the molecular weight of Methyl 3-allyl-4-hydroxy-5-methoxybenzoate?
The molecular weight of Methyl 3-allyl-4-hydroxy-5-methoxybenzoate is 222.09 g/mol.
Where can I buy Methyl 3-allyl-4-hydroxy-5-methoxybenzoate?
You can request a quote for Methyl 3-allyl-4-hydroxy-5-methoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-allyl-4-hydroxy-5-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-allyl-4-hydroxy-5-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.