Benzeneacetic acid, 3-hydroxy-4-methoxy-2-(1-oxo-2-propenyl)-, methyl ester
TL;DR: Benzeneacetic acid, 3-hydroxy-4-methoxy-2-(1-oxo-2-propenyl)-, methyl ester (CAS 40992-07-2) is a chemical compound with molecular formula C13H14O5 and molecular weight 250.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(3-hydroxy-4-methoxy-2-prop-2-enoylphenyl)acetate
Also Known As: 3-Hydroxy-4-methoxy-2- benzeneaceticacidmethylester, Methyl (2-acryloyl-3-hydroxy-4-methoxyphenyl)acetate, Methyl (2-acryloyl-3-hydroxy-4-methoxyphenyl)acetate #, Benzeneacetic acid, 3-hydroxy-4-methoxy-2-(1-oxo-2-propenyl)-, methyl ester, methyl 2-(3-hydroxy-4-methoxy-2-prop-2-enoylphenyl)acetate
| Molecular Formula | C13H14O5 |
|---|---|
| Molecular Weight | 250.08 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 250.08412 |
| Heavy Atoms | 18 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 40992-07-2 |
|---|---|
| SMILES | COC1=C(C(=C(C=C1)CC(=O)OC)C(=O)C=C)O |
| InChIKey | QDAPOVSCUBDHEH-UHFFFAOYSA-N |
Product Overview
Benzeneacetic acid, 3-hydroxy-4-methoxy-2-(1-oxo-2-propenyl)-, methyl ester (CAS 40992-07-2), with molecular formula C13H14O5 and molecular weight 250.08 g/mol. IUPAC: methyl 2-(3-hydroxy-4-methoxy-2-prop-2-enoylphenyl)acetate.
Chemical Property Profile of Benzeneacetic acid, 3-hydroxy-4-methoxy-2-(1-oxo-2-propenyl)-, methyl ester
Property Insights of Benzeneacetic acid, 3-hydroxy-4-methoxy-2-(1-oxo-2-propenyl)-, methyl ester
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneacetic acid, 3-hydroxy-4-methoxy-2-(1-oxo-2-propenyl)-, methyl ester. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzeneacetic acid, 3-hydroxy-4-methoxy-2-(1-oxo-2-propenyl)-, methyl ester. Following Lipinski's Rule of Five, Benzeneacetic acid, 3-hydroxy-4-methoxy-2-(1-oxo-2-propenyl)-, methyl ester has 1 hydrogen bond donor(s) and 5 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 Benzeneacetic acid, 3-hydroxy-4-methoxy-2-(1-oxo-2-propenyl)-, methyl ester?
The CAS number of Benzeneacetic acid, 3-hydroxy-4-methoxy-2-(1-oxo-2-propenyl)-, methyl ester is 40992-07-2.
What is the molecular formula of Benzeneacetic acid, 3-hydroxy-4-methoxy-2-(1-oxo-2-propenyl)-, methyl ester?
The molecular formula of Benzeneacetic acid, 3-hydroxy-4-methoxy-2-(1-oxo-2-propenyl)-, methyl ester is C13H14O5.
What is the molecular weight of Benzeneacetic acid, 3-hydroxy-4-methoxy-2-(1-oxo-2-propenyl)-, methyl ester?
The molecular weight of Benzeneacetic acid, 3-hydroxy-4-methoxy-2-(1-oxo-2-propenyl)-, methyl ester is 250.08 g/mol.
Where can I buy Benzeneacetic acid, 3-hydroxy-4-methoxy-2-(1-oxo-2-propenyl)-, methyl ester?
You can request a quote for Benzeneacetic acid, 3-hydroxy-4-methoxy-2-(1-oxo-2-propenyl)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetic acid, 3-hydroxy-4-methoxy-2-(1-oxo-2-propenyl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, 3-hydroxy-4-methoxy-2-(1-oxo-2-propenyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.