4-对甲苯基丁酸
TL;DR: 4-对甲苯基丁酸 (CAS 4521-22-6) is a chemical compound with molecular formula C11H14O2 and molecular weight 178.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-对甲苯基丁酸
4-(4-methylphenyl)butanoic acid
Also Known As: 4-(p-Tolyl)butyric acid, 4-(p-Tolyl)butanoic acid, 4-(4-Methylphenyl)butanoic acid, 4-p-Tolylbutyric acid, Benzenebutanoic acid, 4-methyl-
| Molecular Formula | C11H14O2 |
|---|---|
| Molecular Weight | 178.10 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 | 178.09938 |
| Heavy Atoms | 13 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 4521-22-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CCCC(=O)O |
| InChIKey | IXWOVMRDYFFXGI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-对甲苯基丁酸 (CAS 4521-22-6), with molecular formula C11H14O2 and molecular weight 178.10 g/mol. IUPAC: 4-(4-methylphenyl)butanoic acid.
Chemical Property Profile of 4-对甲苯基丁酸
Property Insights of 4-对甲苯基丁酸
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-对甲苯基丁酸. With a topological polar surface area (TPSA) of 37.3 Ų, 4-对甲苯基丁酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-对甲苯基丁酸 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-对甲苯基丁酸?
The CAS number of 4-对甲苯基丁酸 is 4521-22-6.
What is the molecular formula of 4-对甲苯基丁酸?
The molecular formula of 4-对甲苯基丁酸 is C11H14O2.
What is the molecular weight of 4-对甲苯基丁酸?
The molecular weight of 4-对甲苯基丁酸 is 178.10 g/mol.
Where can I buy 4-对甲苯基丁酸?
You can request a quote for 4-对甲苯基丁酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-对甲苯基丁酸?
Yes, KEHONG BIO provides custom synthesis services for 4-对甲苯基丁酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.