Propionic acid, 3-(6-hydroxy-m-anisoyl)-, methyl ester
TL;DR: Propionic acid, 3-(6-hydroxy-m-anisoyl)-, methyl ester (CAS 59701-66-5) is a chemical compound with molecular formula C12H14O5 and molecular weight 238.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(2-hydroxy-5-methoxyphenyl)-4-oxobutanoate
Also Known As: Propionic acid, 3-(6-hydroxy-m-anisoyl)-, methyl ester, methyl 4-(2-hydroxy-5-methoxyphenyl)-4-oxobutanoate, Methyl 3-(2-Hydroxy-5-methoxybenzoyl)propionat, methyl 3-(2-hydroxy-5-methoxybenzoyl)propionate, RefChem:375217
| Molecular Formula | C12H14O5 |
|---|---|
| Molecular Weight | 238.08 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 238.08412 |
| Heavy Atoms | 17 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 59701-66-5 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)O)C(=O)CCC(=O)OC |
| InChIKey | DDZBYCVFPQTSNL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propionic acid, 3-(6-hydroxy-m-anisoyl)-, methyl ester (CAS 59701-66-5), with molecular formula C12H14O5 and molecular weight 238.08 g/mol. IUPAC: methyl 4-(2-hydroxy-5-methoxyphenyl)-4-oxobutanoate.
Chemical Property Profile of Propionic acid, 3-(6-hydroxy-m-anisoyl)-, methyl ester
Property Insights of Propionic acid, 3-(6-hydroxy-m-anisoyl)-, methyl ester
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propionic acid, 3-(6-hydroxy-m-anisoyl)-, methyl ester. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Propionic acid, 3-(6-hydroxy-m-anisoyl)-, methyl ester. Following Lipinski's Rule of Five, Propionic acid, 3-(6-hydroxy-m-anisoyl)-, 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 Propionic acid, 3-(6-hydroxy-m-anisoyl)-, methyl ester?
The CAS number of Propionic acid, 3-(6-hydroxy-m-anisoyl)-, methyl ester is 59701-66-5.
What is the molecular formula of Propionic acid, 3-(6-hydroxy-m-anisoyl)-, methyl ester?
The molecular formula of Propionic acid, 3-(6-hydroxy-m-anisoyl)-, methyl ester is C12H14O5.
What is the molecular weight of Propionic acid, 3-(6-hydroxy-m-anisoyl)-, methyl ester?
The molecular weight of Propionic acid, 3-(6-hydroxy-m-anisoyl)-, methyl ester is 238.08 g/mol.
Where can I buy Propionic acid, 3-(6-hydroxy-m-anisoyl)-, methyl ester?
You can request a quote for Propionic acid, 3-(6-hydroxy-m-anisoyl)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propionic acid, 3-(6-hydroxy-m-anisoyl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propionic acid, 3-(6-hydroxy-m-anisoyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.