Benzenepropanoic acid, 4-hydroxy-, methyl ester
TL;DR: Benzenepropanoic acid, 4-hydroxy-, methyl ester (CAS 5597-50-2) is a chemical compound with molecular formula C10H12O3 and molecular weight 180.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(4-hydroxyphenyl)propanoate
Also Known As: Methyl 3-(4-hydroxyphenyl)propionate, Methyl 3-(4-hydroxyphenyl)propanoate, Methyl phloretate, MHPP, Boc-D-Lys(Z)-OH
| Molecular Formula | C10H12O3 |
|---|---|
| Molecular Weight | 180.08 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 180.07864 |
| Heavy Atoms | 13 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 5597-50-2 |
|---|---|
| SMILES | COC(=O)CCC1=CC=C(C=C1)O |
| InChIKey | XRAMJHXWXCMGJM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenepropanoic acid, 4-hydroxy-, methyl ester (CAS 5597-50-2), with molecular formula C10H12O3 and molecular weight 180.08 g/mol. IUPAC: methyl 3-(4-hydroxyphenyl)propanoate.
Chemical Property Profile of Benzenepropanoic acid, 4-hydroxy-, methyl ester
Property Insights of Benzenepropanoic acid, 4-hydroxy-, methyl ester
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenepropanoic acid, 4-hydroxy-, methyl ester. With a topological polar surface area (TPSA) of 46.5 Ų, Benzenepropanoic acid, 4-hydroxy-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenepropanoic acid, 4-hydroxy-, methyl ester has 1 hydrogen bond donor(s) and 3 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, 4-hydroxy-, methyl ester?
The CAS number of Benzenepropanoic acid, 4-hydroxy-, methyl ester is 5597-50-2.
What is the molecular formula of Benzenepropanoic acid, 4-hydroxy-, methyl ester?
The molecular formula of Benzenepropanoic acid, 4-hydroxy-, methyl ester is C10H12O3.
What is the molecular weight of Benzenepropanoic acid, 4-hydroxy-, methyl ester?
The molecular weight of Benzenepropanoic acid, 4-hydroxy-, methyl ester is 180.08 g/mol.
Where can I buy Benzenepropanoic acid, 4-hydroxy-, methyl ester?
You can request a quote for Benzenepropanoic acid, 4-hydroxy-, 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, 4-hydroxy-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenepropanoic acid, 4-hydroxy-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.