4-(3,4-Dimethoxyphenyl)-4-oxo-but-2-enoic acid
TL;DR: 4-(3,4-Dimethoxyphenyl)-4-oxo-but-2-enoic acid (CAS 80937-23-1) is a chemical compound with molecular formula C12H12O5 and molecular weight 236.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,4-dimethoxyphenyl)-4-oxobut-2-enoic acid
Also Known As: 4-(3,4-dimethoxyphenyl)-4-oxobut-2-enoic acid, 4-(3,4-dimethoxyphenyl)-4-oxo-but-2-enoic acid, 4-(3,4-Dimethoxy-phenyl)-4-oxo-but-2-enoic acid, 2-Butenoic acid,4-(3,4-dimethoxyphenyl)-4-oxo-, (2E)-
| Molecular Formula | C12H12O5 |
|---|---|
| Molecular Weight | 236.07 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 236.06847 |
| Heavy Atoms | 17 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 80937-23-1 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)C=CC(=O)O)OC |
| InChIKey | QUWWWXPLUJFEHM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(3,4-Dimethoxyphenyl)-4-oxo-but-2-enoic acid (CAS 80937-23-1), with molecular formula C12H12O5 and molecular weight 236.07 g/mol. IUPAC: 4-(3,4-dimethoxyphenyl)-4-oxobut-2-enoic acid.
Chemical Property Profile of 4-(3,4-Dimethoxyphenyl)-4-oxo-but-2-enoic acid
Property Insights of 4-(3,4-Dimethoxyphenyl)-4-oxo-but-2-enoic acid
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3,4-Dimethoxyphenyl)-4-oxo-but-2-enoic acid. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3,4-Dimethoxyphenyl)-4-oxo-but-2-enoic acid. Following Lipinski's Rule of Five, 4-(3,4-Dimethoxyphenyl)-4-oxo-but-2-enoic acid has 1 hydrogen bond donor(s) and 5 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-(3,4-Dimethoxyphenyl)-4-oxo-but-2-enoic acid?
The CAS number of 4-(3,4-Dimethoxyphenyl)-4-oxo-but-2-enoic acid is 80937-23-1.
What is the molecular formula of 4-(3,4-Dimethoxyphenyl)-4-oxo-but-2-enoic acid?
The molecular formula of 4-(3,4-Dimethoxyphenyl)-4-oxo-but-2-enoic acid is C12H12O5.
What is the molecular weight of 4-(3,4-Dimethoxyphenyl)-4-oxo-but-2-enoic acid?
The molecular weight of 4-(3,4-Dimethoxyphenyl)-4-oxo-but-2-enoic acid is 236.07 g/mol.
Where can I buy 4-(3,4-Dimethoxyphenyl)-4-oxo-but-2-enoic acid?
You can request a quote for 4-(3,4-Dimethoxyphenyl)-4-oxo-but-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3,4-Dimethoxyphenyl)-4-oxo-but-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(3,4-Dimethoxyphenyl)-4-oxo-but-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.