Methyl beta,3-dihydroxybenzenepropanoate
TL;DR: Methyl beta,3-dihydroxybenzenepropanoate (CAS 55822-86-1) 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-hydroxy-3-(3-hydroxyphenyl)propanoate
Also Known As: Methyl 3-hydroxy-3-(3-hydroxyphenyl)propanoate, beta,3-Dihydroxybenzenepropanoic acid methyl ester, Methyl beta,3-dihydroxybenzenepropanoate, Methyl I(2),3-dihydroxybenzenepropanoate, Methyl3-Hydroxy-3-(3-hydroxyphenyl)propanoate
| Molecular Formula | C10H12O4 |
|---|---|
| Molecular Weight | 196.07 g/mol |
| LogP | 0.5 |
| 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 | 55822-86-1 |
|---|---|
| SMILES | COC(=O)CC(C1=CC(=CC=C1)O)O |
| InChIKey | RJGKHTZHLGBJHK-UHFFFAOYSA-N |
Product Overview
Methyl beta,3-dihydroxybenzenepropanoate (CAS 55822-86-1), with molecular formula C10H12O4 and molecular weight 196.07 g/mol. IUPAC: methyl 3-hydroxy-3-(3-hydroxyphenyl)propanoate.
Chemical Property Profile of Methyl beta,3-dihydroxybenzenepropanoate
Property Insights of Methyl beta,3-dihydroxybenzenepropanoate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl beta,3-dihydroxybenzenepropanoate. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl beta,3-dihydroxybenzenepropanoate. Following Lipinski's Rule of Five, Methyl beta,3-dihydroxybenzenepropanoate 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 Methyl beta,3-dihydroxybenzenepropanoate?
The CAS number of Methyl beta,3-dihydroxybenzenepropanoate is 55822-86-1.
What is the molecular formula of Methyl beta,3-dihydroxybenzenepropanoate?
The molecular formula of Methyl beta,3-dihydroxybenzenepropanoate is C10H12O4.
What is the molecular weight of Methyl beta,3-dihydroxybenzenepropanoate?
The molecular weight of Methyl beta,3-dihydroxybenzenepropanoate is 196.07 g/mol.
Where can I buy Methyl beta,3-dihydroxybenzenepropanoate?
You can request a quote for Methyl beta,3-dihydroxybenzenepropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl beta,3-dihydroxybenzenepropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl beta,3-dihydroxybenzenepropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.