2-Butenoic acid, 4-(2,5-dimethoxyphenyl)-4-oxo-, (E)-
TL;DR: 2-Butenoic acid, 4-(2,5-dimethoxyphenyl)-4-oxo-, (E)- (CAS 86738-35-4) 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.
(E)-4-(2,5-dimethoxyphenyl)-4-oxobut-2-enoic acid
Also Known As: (2e)-4-(2,5-dimethoxyphenyl)-4-oxobut-2-enoic acid, KST-1A8634, (E)-4-(2,5-dimethoxyphenyl)-4-oxobut-2-enoic acid, (E)-4-(2,5-Dimethoxyphenyl)-4-oxo-2-butenoic acid, 2-Butenoic acid, 4-(2,5-dimethoxyphenyl)-4-oxo-, (E)-
| 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 | 86738-35-4 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)C(=O)/C=C/C(=O)O |
| InChIKey | KNDFIEKDZCTWHM-GQCTYLIASA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Butenoic acid, 4-(2,5-dimethoxyphenyl)-4-oxo-, (E)- (CAS 86738-35-4), with molecular formula C12H12O5 and molecular weight 236.07 g/mol. IUPAC: (E)-4-(2,5-dimethoxyphenyl)-4-oxobut-2-enoic acid.
Chemical Property Profile of 2-Butenoic acid, 4-(2,5-dimethoxyphenyl)-4-oxo-, (E)-
Property Insights of 2-Butenoic acid, 4-(2,5-dimethoxyphenyl)-4-oxo-, (E)-
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butenoic acid, 4-(2,5-dimethoxyphenyl)-4-oxo-, (E)-. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Butenoic acid, 4-(2,5-dimethoxyphenyl)-4-oxo-, (E)-. Following Lipinski's Rule of Five, 2-Butenoic acid, 4-(2,5-dimethoxyphenyl)-4-oxo-, (E)- 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 2-Butenoic acid, 4-(2,5-dimethoxyphenyl)-4-oxo-, (E)-?
The CAS number of 2-Butenoic acid, 4-(2,5-dimethoxyphenyl)-4-oxo-, (E)- is 86738-35-4.
What is the molecular formula of 2-Butenoic acid, 4-(2,5-dimethoxyphenyl)-4-oxo-, (E)-?
The molecular formula of 2-Butenoic acid, 4-(2,5-dimethoxyphenyl)-4-oxo-, (E)- is C12H12O5.
What is the molecular weight of 2-Butenoic acid, 4-(2,5-dimethoxyphenyl)-4-oxo-, (E)-?
The molecular weight of 2-Butenoic acid, 4-(2,5-dimethoxyphenyl)-4-oxo-, (E)- is 236.07 g/mol.
Where can I buy 2-Butenoic acid, 4-(2,5-dimethoxyphenyl)-4-oxo-, (E)-?
You can request a quote for 2-Butenoic acid, 4-(2,5-dimethoxyphenyl)-4-oxo-, (E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butenoic acid, 4-(2,5-dimethoxyphenyl)-4-oxo-, (E)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenoic acid, 4-(2,5-dimethoxyphenyl)-4-oxo-, (E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.