![2-[2-(4-Methylphenyl)propan-2-yl]butanedioic acid structure](/static/products/6302/6302-41-6.webp)
2-[2-(4-Methylphenyl)propan-2-yl]butanedioic acid
TL;DR: 2-[2-(4-Methylphenyl)propan-2-yl]butanedioic acid (CAS 6302-41-6) is a chemical compound with molecular formula C14H18O4 and molecular weight 250.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-methylphenyl)propan-2-yl]butanedioic acid
Also Known As: propyl cumyl ether, 3-methyl-3-(4-methylphenyl)-Butanoicacid, Butanoicacid, 3-methyl-3-(4-methylphenyl)-, 2-[2-(4-methylphenyl)propan-2-yl]butanedioic acid, 2-[1-Methyl-1-(4-methylphenyl)ethyl]butanoic acid
| Molecular Formula | C14H18O4 |
|---|---|
| Molecular Weight | 250.12 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 250.12051 |
| Heavy Atoms | 18 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 6302-41-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(C)(C)C(CC(=O)O)C(=O)O |
| InChIKey | AUYJZZFEHKGYHT-UHFFFAOYSA-N |
Product Overview
2-[2-(4-Methylphenyl)propan-2-yl]butanedioic acid (CAS 6302-41-6), with molecular formula C14H18O4 and molecular weight 250.12 g/mol. IUPAC: 2-[2-(4-methylphenyl)propan-2-yl]butanedioic acid.
Chemical Property Profile of 2-[2-(4-Methylphenyl)propan-2-yl]butanedioic acid
Property Insights of 2-[2-(4-Methylphenyl)propan-2-yl]butanedioic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[2-(4-Methylphenyl)propan-2-yl]butanedioic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-(4-Methylphenyl)propan-2-yl]butanedioic acid. Following Lipinski's Rule of Five, 2-[2-(4-Methylphenyl)propan-2-yl]butanedioic acid has 2 hydrogen bond donor(s) and 4 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-[2-(4-Methylphenyl)propan-2-yl]butanedioic acid?
The CAS number of 2-[2-(4-Methylphenyl)propan-2-yl]butanedioic acid is 6302-41-6.
What is the molecular formula of 2-[2-(4-Methylphenyl)propan-2-yl]butanedioic acid?
The molecular formula of 2-[2-(4-Methylphenyl)propan-2-yl]butanedioic acid is C14H18O4.
What is the molecular weight of 2-[2-(4-Methylphenyl)propan-2-yl]butanedioic acid?
The molecular weight of 2-[2-(4-Methylphenyl)propan-2-yl]butanedioic acid is 250.12 g/mol.
Where can I buy 2-[2-(4-Methylphenyl)propan-2-yl]butanedioic acid?
You can request a quote for 2-[2-(4-Methylphenyl)propan-2-yl]butanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[2-(4-Methylphenyl)propan-2-yl]butanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-(4-Methylphenyl)propan-2-yl]butanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.