Methyl 3-(3,4-dimethoxyphenyl)propanoate
TL;DR: Methyl 3-(3,4-dimethoxyphenyl)propanoate (CAS 14174-08-4) is a chemical compound with molecular formula C12H16O4 and molecular weight 224.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(3,4-dimethoxyphenyl)propanoate
Also Known As: Methyl 3-(3,4-dimethoxyphenyl)propanoate, Methyl 3-(3',4'-Dimethoxyphenyl)propanoate, Benzo-12-crown-4, Benzo-12-crown 4-ether, METHYL3- PROPANOATE
| Molecular Formula | C12H16O4 |
|---|---|
| Molecular Weight | 224.10 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 224.10486 |
| Heavy Atoms | 16 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 14174-08-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCC(=O)OC)OC |
| InChIKey | VSWFXSSYWWNFNF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-(3,4-dimethoxyphenyl)propanoate (CAS 14174-08-4), with molecular formula C12H16O4 and molecular weight 224.10 g/mol. IUPAC: methyl 3-(3,4-dimethoxyphenyl)propanoate.
Chemical Property Profile of Methyl 3-(3,4-dimethoxyphenyl)propanoate
Property Insights of Methyl 3-(3,4-dimethoxyphenyl)propanoate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(3,4-dimethoxyphenyl)propanoate. With a topological polar surface area (TPSA) of 44.8 Ų, Methyl 3-(3,4-dimethoxyphenyl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(3,4-dimethoxyphenyl)propanoate 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 Methyl 3-(3,4-dimethoxyphenyl)propanoate?
The CAS number of Methyl 3-(3,4-dimethoxyphenyl)propanoate is 14174-08-4.
What is the molecular formula of Methyl 3-(3,4-dimethoxyphenyl)propanoate?
The molecular formula of Methyl 3-(3,4-dimethoxyphenyl)propanoate is C12H16O4.
What is the molecular weight of Methyl 3-(3,4-dimethoxyphenyl)propanoate?
The molecular weight of Methyl 3-(3,4-dimethoxyphenyl)propanoate is 224.10 g/mol.
Where can I buy Methyl 3-(3,4-dimethoxyphenyl)propanoate?
You can request a quote for Methyl 3-(3,4-dimethoxyphenyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(3,4-dimethoxyphenyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(3,4-dimethoxyphenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.