4-(4-甲基苯基)丁酸甲酯
TL;DR: 4-(4-甲基苯基)丁酸甲酯 (CAS 24306-23-8) 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-(4-甲基苯基)丁酸甲酯
methyl 4-(4-methylphenyl)butanoate
Also Known As: methyl 4-(4-methylphenyl)butanoate, Methyl 4-p-tolylbutanoate, 4-(4-Tolyl)butanoic acid methyl ester, Methyl 4-(p-tolyl)butanoate, Methyl 4-(p-tolyl)-butyrate
| Molecular Formula | C12H16O2 |
|---|---|
| Molecular Weight | 192.12 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 192.11504 |
| Heavy Atoms | 14 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 24306-23-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CCCC(=O)OC |
| InChIKey | RWYCVUAUOUCQAN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(4-甲基苯基)丁酸甲酯 (CAS 24306-23-8), with molecular formula C12H16O2 and molecular weight 192.12 g/mol. IUPAC: methyl 4-(4-methylphenyl)butanoate.
Chemical Property Profile of 4-(4-甲基苯基)丁酸甲酯
Property Insights of 4-(4-甲基苯基)丁酸甲酯
The XLogP value of 3.1 indicates that 4-(4-甲苯基)丁酸甲酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 4-(4-甲基苯基)丁酸甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-甲苯基)丁酸甲酯 has 0 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-(4-甲苯基)丁酸甲酯?
The CAS number of 4-(4-甲苯基)丁酸甲酯 is 24306-23-8.
What is the molecular formula of 4-(4-甲苯基)丁酸甲酯?
The molecular formula of 4-(4-甲苯基)丁酸甲酯 is C12H16O2.
What is the molecular weight of 4-(4-甲苯基)丁酸甲酯?
The molecular weight of 4-(4-甲苯基)丁酸甲酯 is 192.12 g/mol.
Where can I buy 4-(4-甲苯基)丁酸甲酯?
You can request a quote for 4-(4-甲苯基)丁酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-甲苯基)丁酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-甲苯基)丁酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.