4-(2,5-二甲基苯基)-2-甲基丁酸
TL;DR: 4-(2,5-二甲基苯基)-2-甲基丁酸 (CAS 30316-14-4) is a chemical compound with molecular formula C13H18O2 and molecular weight 206.13 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)-2-甲基丁酸
4-(2,5-dimethylphenyl)-2-methylbutanoic acid
Also Known As: 4-(2,5-Dimethylphenyl)-2-methylbutanoic acid, 2-METHYL-4-(2,5-XYLYL)BUTANOIC ACID, 2-Methyl-4-(2,5-xylyl)butyric acid, Butyric acid, 2-methyl-4-(2,5-xylyl)-, 4-(2,5-dimethylphenyl)-2-methyl-butanoic acid
| Molecular Formula | C13H18O2 |
|---|---|
| Molecular Weight | 206.13 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 206.13068 |
| Heavy Atoms | 15 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 30316-14-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)CCC(C)C(=O)O |
| InChIKey | IQQRCAWQIUUADX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(2,5-二甲基苯基)-2-甲基丁酸 (CAS 30316-14-4), with molecular formula C13H18O2 and molecular weight 206.13 g/mol. IUPAC: 4-(2,5-dimethylphenyl)-2-methylbutanoic acid.
Chemical Property Profile of 4-(2,5-二甲基苯基)-2-甲基丁酸
Property Insights of 4-(2,5-二甲基苯基)-2-甲基丁酸
The XLogP value of 3.3 indicates that 4-(2,5-二甲基苯基)-2-甲基丁酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 4-(2,5-二甲基苯基)-2-甲基丁酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2,5-二甲基苯基)-2-甲基丁酸 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)-2-甲基丁酸?
The CAS number of 4-(2,5-二甲基苯基)-2-甲基丁酸 is 30316-14-4.
What is the molecular formula of 4-(2,5-二甲基苯基)-2-甲基丁酸?
The molecular formula of 4-(2,5-二甲基苯基)-2-甲基丁酸 is C13H18O2.
What is the molecular weight of 4-(2,5-二甲基苯基)-2-甲基丁酸?
The molecular weight of 4-(2,5-二甲基苯基)-2-甲基丁酸 is 206.13 g/mol.
Where can I buy 4-(2,5-二甲基苯基)-2-甲基丁酸?
You can request a quote for 4-(2,5-二甲基苯基)-2-甲基丁酸 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)-2-甲基丁酸?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,5-二甲基苯基)-2-甲基丁酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.