Methyl 5-allyl-3-methoxysalicylate
TL;DR: Methyl 5-allyl-3-methoxysalicylate (CAS 85614-43-3) 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 2-hydroxy-3-methoxy-5-prop-2-enylbenzoate
Also Known As: Methyl 5-allyl-3-methoxysalicylate, Methyl 5-Allyl-2-hydroxy-3-methoxybenzoate, methyl 5-allyl-3-met, EINECS 287-929-7, methyl 2-hydroxy-3-methoxy-5-prop-2-enylbenzoate
| 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 | 85614-43-3 |
|---|---|
| SMILES | COC1=CC(=CC(=C1O)C(=O)OC)CC=C |
Product Overview
Methyl 5-allyl-3-methoxysalicylate (CAS 85614-43-3), with molecular formula C12H14O4 and molecular weight 222.09 g/mol. IUPAC: methyl 2-hydroxy-3-methoxy-5-prop-2-enylbenzoate.
Chemical Property Profile of Methyl 5-allyl-3-methoxysalicylate
Property Insights of Methyl 5-allyl-3-methoxysalicylate
The XLogP value of 1.9159 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-allyl-3-methoxysalicylate. With a topological polar surface area (TPSA) of 55.76 Ų, Methyl 5-allyl-3-methoxysalicylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 5-allyl-3-methoxysalicylate 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 5-allyl-3-methoxysalicylate?
The CAS number of Methyl 5-allyl-3-methoxysalicylate is 85614-43-3.
What is the molecular formula of Methyl 5-allyl-3-methoxysalicylate?
The molecular formula of Methyl 5-allyl-3-methoxysalicylate is C12H14O4.
What is the molecular weight of Methyl 5-allyl-3-methoxysalicylate?
The molecular weight of Methyl 5-allyl-3-methoxysalicylate is 222.09 g/mol.
Where can I buy Methyl 5-allyl-3-methoxysalicylate?
You can request a quote for Methyl 5-allyl-3-methoxysalicylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-allyl-3-methoxysalicylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-allyl-3-methoxysalicylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.