4-Oxo-4-(3,4,5-trimethoxyphenyl)butanoic acid
TL;DR: 4-Oxo-4-(3,4,5-trimethoxyphenyl)butanoic acid (CAS 5138-70-5) is a chemical compound with molecular formula C13H16O6 and molecular weight 268.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-4-(3,4,5-trimethoxyphenyl)butanoic acid
Also Known As: 4-oxo-4-(3,4,5-trimethoxyphenyl)butanoic acid, 4-(3,4,5-TRIMETHOXYPHENYL)-4-OXOBUTYRIC ACID, 3-(3,4,5-trimethoxybenzoyl)propionic acid, 4-(3,4,5-TRIMETHOXYPHENYL)-4-OXOBUTYRICACID
| Molecular Formula | C13H16O6 |
|---|---|
| Molecular Weight | 268.09 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 82.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 268.0947 |
| Heavy Atoms | 19 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 5138-70-5 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)CCC(=O)O |
| InChIKey | VBPGSDAYADHUML-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Oxo-4-(3,4,5-trimethoxyphenyl)butanoic acid (CAS 5138-70-5), with molecular formula C13H16O6 and molecular weight 268.09 g/mol. IUPAC: 4-oxo-4-(3,4,5-trimethoxyphenyl)butanoic acid.
Chemical Property Profile of 4-Oxo-4-(3,4,5-trimethoxyphenyl)butanoic acid
Property Insights of 4-Oxo-4-(3,4,5-trimethoxyphenyl)butanoic acid
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Oxo-4-(3,4,5-trimethoxyphenyl)butanoic acid. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Oxo-4-(3,4,5-trimethoxyphenyl)butanoic acid. Following Lipinski's Rule of Five, 4-Oxo-4-(3,4,5-trimethoxyphenyl)butanoic acid has 1 hydrogen bond donor(s) and 6 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-Oxo-4-(3,4,5-trimethoxyphenyl)butanoic acid?
The CAS number of 4-Oxo-4-(3,4,5-trimethoxyphenyl)butanoic acid is 5138-70-5.
What is the molecular formula of 4-Oxo-4-(3,4,5-trimethoxyphenyl)butanoic acid?
The molecular formula of 4-Oxo-4-(3,4,5-trimethoxyphenyl)butanoic acid is C13H16O6.
What is the molecular weight of 4-Oxo-4-(3,4,5-trimethoxyphenyl)butanoic acid?
The molecular weight of 4-Oxo-4-(3,4,5-trimethoxyphenyl)butanoic acid is 268.09 g/mol.
Where can I buy 4-Oxo-4-(3,4,5-trimethoxyphenyl)butanoic acid?
You can request a quote for 4-Oxo-4-(3,4,5-trimethoxyphenyl)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Oxo-4-(3,4,5-trimethoxyphenyl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Oxo-4-(3,4,5-trimethoxyphenyl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.