3-(p-Tolyl)pentanedioic acid
TL;DR: 3-(p-Tolyl)pentanedioic acid (CAS 59612-76-9) is a chemical compound with molecular formula C12H14O4 and molecular weight 222.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylphenyl)pentanedioic acid
Also Known As: 3-(p-tolyl)pentanedioic acid, 3-(4-methylphenyl)pentanedioic Acid, 3-p-tolyl-pentanedioic acid
| Molecular Formula | C12H14O4 |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 2.02802 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 222.0892 |
| Heavy Atoms | 16 |
| Complexity | 364.51016 |
Chemical Identifiers
| CAS Number | 59612-76-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(CC(=O)O)CC(=O)O |
Product Overview
3-(p-Tolyl)pentanedioic acid (CAS 59612-76-9), with molecular formula C12H14O4 and molecular weight 222.09 g/mol. IUPAC: 3-(4-methylphenyl)pentanedioic acid.
Chemical Property Profile of 3-(p-Tolyl)pentanedioic acid
Property Insights of 3-(p-Tolyl)pentanedioic acid
The XLogP value of 2.02802 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(p-Tolyl)pentanedioic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(p-Tolyl)pentanedioic acid. Following Lipinski's Rule of Five, 3-(p-Tolyl)pentanedioic acid has 2 hydrogen bond donor(s) and 2 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 3-(p-Tolyl)pentanedioic acid?
The CAS number of 3-(p-Tolyl)pentanedioic acid is 59612-76-9.
What is the molecular formula of 3-(p-Tolyl)pentanedioic acid?
The molecular formula of 3-(p-Tolyl)pentanedioic acid is C12H14O4.
What is the molecular weight of 3-(p-Tolyl)pentanedioic acid?
The molecular weight of 3-(p-Tolyl)pentanedioic acid is 222.09 g/mol.
Where can I buy 3-(p-Tolyl)pentanedioic acid?
You can request a quote for 3-(p-Tolyl)pentanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(p-Tolyl)pentanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(p-Tolyl)pentanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.