3,4-二甲氧基苯乙酸甲酯
TL;DR: 3,4-二甲氧基苯乙酸甲酯 (CAS 15964-79-1) is a chemical compound with molecular formula C11H14O4 and molecular weight 210.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-二甲氧基苯乙酸甲酯
methyl 2-(3,4-dimethoxyphenyl)acetate
Also Known As: methyl 2-(3,4-dimethoxyphenyl)acetate, METHYL HOMOVERATRATE, Hexylbutyrate, Homoveratric acid, methyl ester, Methyl 3,4-dimethoxyphenylacetate
| Molecular Formula | C11H14O4 |
|---|---|
| Molecular Weight | 210.09 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 210.0892 |
| Heavy Atoms | 15 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 15964-79-1 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CC(=O)OC)OC |
| InChIKey | DILOFCBIBDMHAY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-二甲氧基苯乙酸甲酯 (CAS 15964-79-1), with molecular formula C11H14O4 and molecular weight 210.09 g/mol. IUPAC: methyl 2-(3,4-dimethoxyphenyl)acetate.
Chemical Property Profile of 3,4-二甲氧基苯乙酸甲酯
Property Insights of 3,4-二甲氧基苯乙酸甲酯
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-二甲氧基苯乙酸甲酯. With a topological polar surface area (TPSA) of 44.8 Ų, 3,4-二甲氧基苯乙酸甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-二甲氧基苯乙酸甲酯 has 0 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 3,4-二甲氧基苯乙酸甲酯?
The CAS number of 3,4-二甲氧基苯乙酸甲酯 is 15964-79-1.
What is the molecular formula of 3,4-二甲氧基苯乙酸甲酯?
The molecular formula of 3,4-二甲氧基苯乙酸甲酯 is C11H14O4.
What is the molecular weight of 3,4-二甲氧基苯乙酸甲酯?
The molecular weight of 3,4-二甲氧基苯乙酸甲酯 is 210.09 g/mol.
Where can I buy 3,4-二甲氧基苯乙酸甲酯?
You can request a quote for 3,4-二甲氧基苯乙酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-二甲氧基苯乙酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 3,4-二甲氧基苯乙酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.