4-(2,5-Dimethoxyanilino)-4-oxo-2-(oxolan-2-yl)butanoic acid
TL;DR: 4-(2,5-Dimethoxyanilino)-4-oxo-2-(oxolan-2-yl)butanoic acid (CAS 5172-29-2) is a chemical compound with molecular formula C16H21NO6 and molecular weight 323.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,5-dimethoxyanilino)-4-oxo-2-(oxolan-2-yl)butanoic acid
Also Known As: 4-(2,5-dimethoxyanilino)-4-oxo-2-(oxolan-2-yl)butanoic acid, 3-[(2,5-dimethoxyphenyl)carbamoyl]-2-(oxolan-2-yl)propanoic Acid
| Molecular Formula | C16H21NO6 |
|---|---|
| Molecular Weight | 323.14 g/mol |
| LogP | 1.9122 |
| Topological Polar Surface Area | 94.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 323.1369 |
| Heavy Atoms | 23 |
| Complexity | 567.6889 |
Chemical Identifiers
| CAS Number | 5172-29-2 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)NC(=O)CC(C2CCCO2)C(=O)O |
Product Overview
4-(2,5-Dimethoxyanilino)-4-oxo-2-(oxolan-2-yl)butanoic acid (CAS 5172-29-2), with molecular formula C16H21NO6 and molecular weight 323.14 g/mol. IUPAC: 4-(2,5-dimethoxyanilino)-4-oxo-2-(oxolan-2-yl)butanoic acid.
Chemical Property Profile of 4-(2,5-Dimethoxyanilino)-4-oxo-2-(oxolan-2-yl)butanoic acid
Property Insights of 4-(2,5-Dimethoxyanilino)-4-oxo-2-(oxolan-2-yl)butanoic acid
The XLogP value of 1.9122 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2,5-Dimethoxyanilino)-4-oxo-2-(oxolan-2-yl)butanoic acid. The TPSA of 94.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2,5-Dimethoxyanilino)-4-oxo-2-(oxolan-2-yl)butanoic acid. Following Lipinski's Rule of Five, 4-(2,5-Dimethoxyanilino)-4-oxo-2-(oxolan-2-yl)butanoic acid has 2 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-(2,5-Dimethoxyanilino)-4-oxo-2-(oxolan-2-yl)butanoic acid?
The CAS number of 4-(2,5-Dimethoxyanilino)-4-oxo-2-(oxolan-2-yl)butanoic acid is 5172-29-2.
What is the molecular formula of 4-(2,5-Dimethoxyanilino)-4-oxo-2-(oxolan-2-yl)butanoic acid?
The molecular formula of 4-(2,5-Dimethoxyanilino)-4-oxo-2-(oxolan-2-yl)butanoic acid is C16H21NO6.
What is the molecular weight of 4-(2,5-Dimethoxyanilino)-4-oxo-2-(oxolan-2-yl)butanoic acid?
The molecular weight of 4-(2,5-Dimethoxyanilino)-4-oxo-2-(oxolan-2-yl)butanoic acid is 323.14 g/mol.
Where can I buy 4-(2,5-Dimethoxyanilino)-4-oxo-2-(oxolan-2-yl)butanoic acid?
You can request a quote for 4-(2,5-Dimethoxyanilino)-4-oxo-2-(oxolan-2-yl)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-(2,5-Dimethoxyanilino)-4-oxo-2-(oxolan-2-yl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,5-Dimethoxyanilino)-4-oxo-2-(oxolan-2-yl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.