4-(3,4-Dimethoxyphenyl)-4-oxobutanoate
TL;DR: 4-(3,4-Dimethoxyphenyl)-4-oxobutanoate (CAS 5333-34-6) is a chemical compound with molecular formula C12H13O5- and molecular weight 237.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,4-dimethoxyphenyl)-4-oxobutanoate
Also Known As: 4-(3,4-dimethoxyphenyl)-4-oxobutanoate
| Molecular Formula | C12H13O5- |
|---|---|
| Molecular Weight | 237.08 g/mol |
| LogP | 0.4166 |
| Topological Polar Surface Area | 75.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 237.0763 |
| Heavy Atoms | 17 |
| Complexity | 424.9042 |
Chemical Identifiers
| CAS Number | 5333-34-6 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)CCC(=O)[O-])OC |
Product Overview
4-(3,4-Dimethoxyphenyl)-4-oxobutanoate (CAS 5333-34-6), with molecular formula C12H13O5- and molecular weight 237.08 g/mol. IUPAC: 4-(3,4-dimethoxyphenyl)-4-oxobutanoate.
Chemical Property Profile of 4-(3,4-Dimethoxyphenyl)-4-oxobutanoate
Property Insights of 4-(3,4-Dimethoxyphenyl)-4-oxobutanoate
The XLogP value of 0.4166 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3,4-Dimethoxyphenyl)-4-oxobutanoate. The TPSA of 75.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3,4-Dimethoxyphenyl)-4-oxobutanoate. Following Lipinski's Rule of Five, 4-(3,4-Dimethoxyphenyl)-4-oxobutanoate has 0 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-oxobutanoate?
The CAS number of 4-(3,4-Dimethoxyphenyl)-4-oxobutanoate is 5333-34-6.
What is the molecular formula of 4-(3,4-Dimethoxyphenyl)-4-oxobutanoate?
The molecular formula of 4-(3,4-Dimethoxyphenyl)-4-oxobutanoate is C12H13O5-.
What is the molecular weight of 4-(3,4-Dimethoxyphenyl)-4-oxobutanoate?
The molecular weight of 4-(3,4-Dimethoxyphenyl)-4-oxobutanoate is 237.08 g/mol.
Where can I buy 4-(3,4-Dimethoxyphenyl)-4-oxobutanoate?
You can request a quote for 4-(3,4-Dimethoxyphenyl)-4-oxobutanoate 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-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(3,4-Dimethoxyphenyl)-4-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.