4-(3',4'-Dimethoxyphenyl)-3-acetyl-4-butanolide
TL;DR: 4-(3',4'-Dimethoxyphenyl)-3-acetyl-4-butanolide (CAS 72471-47-7) is a chemical compound with molecular formula C14H16O5 and molecular weight 264.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-acetyl-5-(3,4-dimethoxyphenyl)oxolan-2-one
Also Known As: 4- -3-acetyl-4-butanolide, 4-acetyl-5-(3,4-dimethoxyphenyl)oxolan-2-one, 4-(3',4'-Dimethoxyphenyl)-3-acetyl-4-butanolide, trans-4-Acetyl-5-(3,4-dimethoxyphenyl)-4,5-dihydro-2(3H)-furanone, 2(3H)-Furanone, 4,5-dihydro-4-acetyl-5-(3,4-dimethoxyphenyl)-, (E)-
| Molecular Formula | C14H16O5 |
|---|---|
| Molecular Weight | 264.10 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 264.09976 |
| Heavy Atoms | 19 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 72471-47-7 |
|---|---|
| SMILES | CC(=O)C1CC(=O)OC1C2=CC(=C(C=C2)OC)OC |
| InChIKey | UGADVQQKXGFQTG-UHFFFAOYSA-N |
Product Overview
4-(3',4'-Dimethoxyphenyl)-3-acetyl-4-butanolide (CAS 72471-47-7), with molecular formula C14H16O5 and molecular weight 264.10 g/mol. IUPAC: 4-acetyl-5-(3,4-dimethoxyphenyl)oxolan-2-one.
Chemical Property Profile of 4-(3',4'-Dimethoxyphenyl)-3-acetyl-4-butanolide
Property Insights of 4-(3',4'-Dimethoxyphenyl)-3-acetyl-4-butanolide
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3',4'-Dimethoxyphenyl)-3-acetyl-4-butanolide. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3',4'-Dimethoxyphenyl)-3-acetyl-4-butanolide. Following Lipinski's Rule of Five, 4-(3',4'-Dimethoxyphenyl)-3-acetyl-4-butanolide 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)-3-acetyl-4-butanolide?
The CAS number of 4-(3',4'-Dimethoxyphenyl)-3-acetyl-4-butanolide is 72471-47-7.
What is the molecular formula of 4-(3',4'-Dimethoxyphenyl)-3-acetyl-4-butanolide?
The molecular formula of 4-(3',4'-Dimethoxyphenyl)-3-acetyl-4-butanolide is C14H16O5.
What is the molecular weight of 4-(3',4'-Dimethoxyphenyl)-3-acetyl-4-butanolide?
The molecular weight of 4-(3',4'-Dimethoxyphenyl)-3-acetyl-4-butanolide is 264.10 g/mol.
Where can I buy 4-(3',4'-Dimethoxyphenyl)-3-acetyl-4-butanolide?
You can request a quote for 4-(3',4'-Dimethoxyphenyl)-3-acetyl-4-butanolide 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)-3-acetyl-4-butanolide?
Yes, KEHONG BIO provides custom synthesis services for 4-(3',4'-Dimethoxyphenyl)-3-acetyl-4-butanolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.