3-(3,4-Dimethoxyphenyl)propionic acid
TL;DR: 3-(3,4-Dimethoxyphenyl)propionic acid (CAS 2107-70-2) 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-(3,4-dimethoxyphenyl)propanoic acid
Also Known As: 3-(3,4-Dimethoxyphenyl)propionic acid, 3-(3,4-Dimethoxyphenyl)propanoic acid, 3,4-Dimethoxyhydrocinnamic acid, Benzenepropanoic acid, 3,4-dimethoxy-, 4-Hydroxypropiophenone
| Molecular Formula | C11H14O4 |
|---|---|
| Molecular Weight | 210.09 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 210.0892 |
| Heavy Atoms | 15 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 2107-70-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCC(=O)O)OC |
| InChIKey | LHHKQWQTBCTDQM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(3,4-Dimethoxyphenyl)propionic acid (CAS 2107-70-2), with molecular formula C11H14O4 and molecular weight 210.09 g/mol. IUPAC: 3-(3,4-dimethoxyphenyl)propanoic acid.
Chemical Property Profile of 3-(3,4-Dimethoxyphenyl)propionic acid
Property Insights of 3-(3,4-Dimethoxyphenyl)propionic acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3,4-Dimethoxyphenyl)propionic acid. With a topological polar surface area (TPSA) of 55.8 Ų, 3-(3,4-Dimethoxyphenyl)propionic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3,4-Dimethoxyphenyl)propionic acid 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 3-(3,4-Dimethoxyphenyl)propionic acid?
The CAS number of 3-(3,4-Dimethoxyphenyl)propionic acid is 2107-70-2.
What is the molecular formula of 3-(3,4-Dimethoxyphenyl)propionic acid?
The molecular formula of 3-(3,4-Dimethoxyphenyl)propionic acid is C11H14O4.
What is the molecular weight of 3-(3,4-Dimethoxyphenyl)propionic acid?
The molecular weight of 3-(3,4-Dimethoxyphenyl)propionic acid is 210.09 g/mol.
Where can I buy 3-(3,4-Dimethoxyphenyl)propionic acid?
You can request a quote for 3-(3,4-Dimethoxyphenyl)propionic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3,4-Dimethoxyphenyl)propionic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,4-Dimethoxyphenyl)propionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.