4-羟基-3-甲氧基苯乙酸甲酯
TL;DR: 4-羟基-3-甲氧基苯乙酸甲酯 (CAS 15964-80-4) 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.
4-羟基-3-甲氧基苯乙酸甲酯
methyl 2-(4-hydroxy-3-methoxyphenyl)acetate
Also Known As: Methyl homovanillate, methyl 2-(4-hydroxy-3-methoxyphenyl)acetate, Methyl 4-hydroxy-3-methoxyphenylacetate, Homovanillic acid methyl ester, 3,5-di-t-butylbenzoicacid
| Molecular Formula | C10H12O4 |
|---|---|
| Molecular Weight | 196.07 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 196.07356 |
| Heavy Atoms | 14 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 15964-80-4 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)CC(=O)OC)O |
| InChIKey | JJJSFAGPWHEUBT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-羟基-3-甲氧基苯乙酸甲酯 (CAS 15964-80-4), with molecular formula C10H12O4 and molecular weight 196.07 g/mol. IUPAC: methyl 2-(4-hydroxy-3-methoxyphenyl)acetate.
Chemical Property Profile of 4-羟基-3-甲氧基苯乙酸甲酯
Property Insights of 4-羟基-3-甲氧基苯乙酸甲酯
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-羟基-3-甲氧基苯乙酸甲酯. With a topological polar surface area (TPSA) of 55.8 Ų, 4-羟基-3-甲氧基苯乙酸甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-羟基-3-甲氧基苯乙酸甲酯 has 1 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 4-羟基-3-甲氧基苯乙酸甲酯?
The CAS number of 4-羟基-3-甲氧基苯乙酸甲酯 is 15964-80-4.
What is the molecular formula of 4-羟基-3-甲氧基苯乙酸甲酯?
The molecular formula of 4-羟基-3-甲氧基苯乙酸甲酯 is C10H12O4.
What is the molecular weight of 4-羟基-3-甲氧基苯乙酸甲酯?
The molecular weight of 4-羟基-3-甲氧基苯乙酸甲酯 is 196.07 g/mol.
Where can I buy 4-羟基-3-甲氧基苯乙酸甲酯?
You can request a quote for 4-羟基-3-甲氧基苯乙酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-羟基-3-甲氧基苯乙酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 4-羟基-3-甲氧基苯乙酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.