2-(4-Butoxyphenyl)-2-methylbutanedioic acid
TL;DR: 2-(4-Butoxyphenyl)-2-methylbutanedioic acid (CAS 5229-22-1) is a chemical compound with molecular formula C15H20O5 and molecular weight 280.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-butoxyphenyl)-2-methylbutanedioic acid
Also Known As: 2-(4-butoxyphenyl)-2-methylbutanedioic acid, 2-(4-Butoxyphenyl)-2-methylsuccinic acid, BAS 00233150, 2-(4-Butoxy-phenyl)-2-methyl-succinic acid, Butanedioic acid, 2-(4-butoxyphenyl)-2-methyl-
| Molecular Formula | C15H20O5 |
|---|---|
| Molecular Weight | 280.13 g/mol |
| LogP | 2.6825 |
| Topological Polar Surface Area | 83.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 280.13107 |
| Heavy Atoms | 20 |
| Complexity | 465.65714 |
Chemical Identifiers
| CAS Number | 5229-22-1 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C(C)(CC(=O)O)C(=O)O |
Product Overview
2-(4-Butoxyphenyl)-2-methylbutanedioic acid (CAS 5229-22-1), with molecular formula C15H20O5 and molecular weight 280.13 g/mol. IUPAC: 2-(4-butoxyphenyl)-2-methylbutanedioic acid.
Chemical Property Profile of 2-(4-Butoxyphenyl)-2-methylbutanedioic acid
Property Insights of 2-(4-Butoxyphenyl)-2-methylbutanedioic acid
The XLogP value of 2.6825 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Butoxyphenyl)-2-methylbutanedioic acid. The TPSA of 83.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Butoxyphenyl)-2-methylbutanedioic acid. Following Lipinski's Rule of Five, 2-(4-Butoxyphenyl)-2-methylbutanedioic acid has 2 hydrogen bond donor(s) and 3 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-(4-Butoxyphenyl)-2-methylbutanedioic acid?
The CAS number of 2-(4-Butoxyphenyl)-2-methylbutanedioic acid is 5229-22-1.
What is the molecular formula of 2-(4-Butoxyphenyl)-2-methylbutanedioic acid?
The molecular formula of 2-(4-Butoxyphenyl)-2-methylbutanedioic acid is C15H20O5.
What is the molecular weight of 2-(4-Butoxyphenyl)-2-methylbutanedioic acid?
The molecular weight of 2-(4-Butoxyphenyl)-2-methylbutanedioic acid is 280.13 g/mol.
Where can I buy 2-(4-Butoxyphenyl)-2-methylbutanedioic acid?
You can request a quote for 2-(4-Butoxyphenyl)-2-methylbutanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Butoxyphenyl)-2-methylbutanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Butoxyphenyl)-2-methylbutanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.