4-(3,4-Dimethylphenyl)butyric acid
TL;DR: 4-(3,4-Dimethylphenyl)butyric acid (CAS 6323-10-0) is a chemical compound with molecular formula C12H16O2 and molecular weight 192.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,4-dimethylphenyl)butanoic acid
Also Known As: 4-(3,4-dimethylphenyl)butanoic acid, 2-Benzolsulfonylamino-phenol, NCIStruc1_000163, NCIStruc2_000289, 4-(3,4-dimethylphenyl)butyric acid
| Molecular Formula | C12H16O2 |
|---|---|
| Molecular Weight | 192.12 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 192.11504 |
| Heavy Atoms | 14 |
| Complexity | 189.0 |
Chemical Identifiers
| CAS Number | 6323-10-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)CCCC(=O)O)C |
| InChIKey | ABMVUAWFTZKZDV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(3,4-Dimethylphenyl)butyric acid (CAS 6323-10-0), with molecular formula C12H16O2 and molecular weight 192.12 g/mol. IUPAC: 4-(3,4-dimethylphenyl)butanoic acid.
Chemical Property Profile of 4-(3,4-Dimethylphenyl)butyric acid
Property Insights of 4-(3,4-Dimethylphenyl)butyric acid
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3,4-Dimethylphenyl)butyric acid. With a topological polar surface area (TPSA) of 37.3 Ų, 4-(3,4-Dimethylphenyl)butyric acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3,4-Dimethylphenyl)butyric acid has 1 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 4-(3,4-Dimethylphenyl)butyric acid?
The CAS number of 4-(3,4-Dimethylphenyl)butyric acid is 6323-10-0.
What is the molecular formula of 4-(3,4-Dimethylphenyl)butyric acid?
The molecular formula of 4-(3,4-Dimethylphenyl)butyric acid is C12H16O2.
What is the molecular weight of 4-(3,4-Dimethylphenyl)butyric acid?
The molecular weight of 4-(3,4-Dimethylphenyl)butyric acid is 192.12 g/mol.
Where can I buy 4-(3,4-Dimethylphenyl)butyric acid?
You can request a quote for 4-(3,4-Dimethylphenyl)butyric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3,4-Dimethylphenyl)butyric acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(3,4-Dimethylphenyl)butyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.