4-(2,5-二甲基苯基)丁酸
TL;DR: 4-(2,5-二甲基苯基)丁酸 (CAS 1453-06-1) 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-(2,5-二甲基苯基)丁酸
4-(2,5-dimethylphenyl)butanoic acid
Also Known As: 4-(2,5-Dimethylphenyl)butanoic acid, Benzenebutanoic acid, 2,5-dimethyl-, 4-(2,5-Xylyl)butyric acid, Butyric acid, 4-(2,5-xylyl)-, A-Phthalimidopropiophenone
| 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 | 1453-06-1 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)CCCC(=O)O |
| InChIKey | XNTQOUBHYSKYOI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(2,5-二甲基苯基)丁酸 (CAS 1453-06-1), with molecular formula C12H16O2 and molecular weight 192.12 g/mol. IUPAC: 4-(2,5-dimethylphenyl)butanoic acid.
Chemical Property Profile of 4-(2,5-二甲基苯基)丁酸
Property Insights of 4-(2,5-二甲基苯基)丁酸
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2,5-二甲基苯基)丁酸. With a topological polar surface area (TPSA) of 37.3 Ų, 4-(2,5-二甲基苯基)丁酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2,5-二甲基苯基)丁酸 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-(2,5-二甲基苯基)丁酸?
The CAS number of 4-(2,5-二甲基苯基)丁酸 is 1453-06-1.
What is the molecular formula of 4-(2,5-二甲基苯基)丁酸?
The molecular formula of 4-(2,5-二甲基苯基)丁酸 is C12H16O2.
What is the molecular weight of 4-(2,5-二甲基苯基)丁酸?
The molecular weight of 4-(2,5-二甲基苯基)丁酸 is 192.12 g/mol.
Where can I buy 4-(2,5-二甲基苯基)丁酸?
You can request a quote for 4-(2,5-二甲基苯基)丁酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2,5-二甲基苯基)丁酸?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,5-二甲基苯基)丁酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.