3-(2,4-Dimethoxyphenyl)-2-butenoic acid
TL;DR: 3-(2,4-Dimethoxyphenyl)-2-butenoic acid (CAS 7706-67-4) is a chemical compound with molecular formula C12H14O4 and molecular weight 222.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,4-dimethoxyphenyl)but-2-enoic acid
Also Known As: Dimecrotic acid, 3-(2,4-Dimethoxyphenyl)but-2-enoic acid, 2,4-Dimethoxy-beta-methylcinnamic acid, 3-(2,4-Dimethoxyphenyl)-2-butenoic acid, (2E)-3-(2,4-dimethoxyphenyl)but-2-enoic acid
| Molecular Formula | C12H14O4 |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 222.0892 |
| Heavy Atoms | 16 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 7706-67-4 |
|---|---|
| SMILES | CC(=CC(=O)O)C1=C(C=C(C=C1)OC)OC |
| InChIKey | VNLOISSPTMDCIF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(2,4-Dimethoxyphenyl)-2-butenoic acid (CAS 7706-67-4), with molecular formula C12H14O4 and molecular weight 222.09 g/mol. IUPAC: 3-(2,4-dimethoxyphenyl)but-2-enoic acid.
Chemical Property Profile of 3-(2,4-Dimethoxyphenyl)-2-butenoic acid
Property Insights of 3-(2,4-Dimethoxyphenyl)-2-butenoic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2,4-Dimethoxyphenyl)-2-butenoic acid. With a topological polar surface area (TPSA) of 55.8 Ų, 3-(2,4-Dimethoxyphenyl)-2-butenoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2,4-Dimethoxyphenyl)-2-butenoic 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-(2,4-Dimethoxyphenyl)-2-butenoic acid?
The CAS number of 3-(2,4-Dimethoxyphenyl)-2-butenoic acid is 7706-67-4.
What is the molecular formula of 3-(2,4-Dimethoxyphenyl)-2-butenoic acid?
The molecular formula of 3-(2,4-Dimethoxyphenyl)-2-butenoic acid is C12H14O4.
What is the molecular weight of 3-(2,4-Dimethoxyphenyl)-2-butenoic acid?
The molecular weight of 3-(2,4-Dimethoxyphenyl)-2-butenoic acid is 222.09 g/mol.
Where can I buy 3-(2,4-Dimethoxyphenyl)-2-butenoic acid?
You can request a quote for 3-(2,4-Dimethoxyphenyl)-2-butenoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2,4-Dimethoxyphenyl)-2-butenoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,4-Dimethoxyphenyl)-2-butenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.