Benzenepropanoic acid, 3,4-dihydroxy-, methyl ester
TL;DR: Benzenepropanoic acid, 3,4-dihydroxy-, methyl ester (CAS 3598-22-9) is a chemical compound with molecular formula C10H12O4 and molecular weight 196.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(3,4-dihydroxyphenyl)propanoate
Also Known As: Methyl 3-(3,4-dihydroxyphenyl)propanoate, methyl dihydrocaffeate, 3- propionicacidmethylester, Benzenepropanoic acid, 3,4-dihydroxy-, methyl ester, 3-(3,4-Dihydroxyphenyl)propionic acid methyl ester
| Molecular Formula | C10H12O4 |
|---|---|
| Molecular Weight | 196.07 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 196.07356 |
| Heavy Atoms | 14 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 3598-22-9 |
|---|---|
| SMILES | COC(=O)CCC1=CC(=C(C=C1)O)O |
| InChIKey | NTULQOXXTCSEHM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenepropanoic acid, 3,4-dihydroxy-, methyl ester (CAS 3598-22-9), with molecular formula C10H12O4 and molecular weight 196.07 g/mol. IUPAC: methyl 3-(3,4-dihydroxyphenyl)propanoate.
Chemical Property Profile of Benzenepropanoic acid, 3,4-dihydroxy-, methyl ester
Property Insights of Benzenepropanoic acid, 3,4-dihydroxy-, methyl ester
The XLogP value of -0.2 indicates that Benzenepropanoic acid, 3,4-dihydroxy-, methyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenepropanoic acid, 3,4-dihydroxy-, methyl ester. Following Lipinski's Rule of Five, Benzenepropanoic acid, 3,4-dihydroxy-, methyl ester has 2 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 Benzenepropanoic acid, 3,4-dihydroxy-, methyl ester?
The CAS number of Benzenepropanoic acid, 3,4-dihydroxy-, methyl ester is 3598-22-9.
What is the molecular formula of Benzenepropanoic acid, 3,4-dihydroxy-, methyl ester?
The molecular formula of Benzenepropanoic acid, 3,4-dihydroxy-, methyl ester is C10H12O4.
What is the molecular weight of Benzenepropanoic acid, 3,4-dihydroxy-, methyl ester?
The molecular weight of Benzenepropanoic acid, 3,4-dihydroxy-, methyl ester is 196.07 g/mol.
Where can I buy Benzenepropanoic acid, 3,4-dihydroxy-, methyl ester?
You can request a quote for Benzenepropanoic acid, 3,4-dihydroxy-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenepropanoic acid, 3,4-dihydroxy-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenepropanoic acid, 3,4-dihydroxy-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.