4-甲基苯甲酸丁酯
TL;DR: 4-甲基苯甲酸丁酯 (CAS 19277-56-6) 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-甲基苯甲酸丁酯
butyl 4-methylbenzoate
Also Known As: Butyl p-toluate, Butyl 4-methylbenzoate, p-Toluic acid, butyl ester, Benzoic acid, 4-methyl-, butyl ester, 4-methylbenzoic acid butyl ester
| Molecular Formula | C12H16O2 |
|---|---|
| Molecular Weight | 192.12 g/mol |
| LogP | 4.2 |
| 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 | 19277-56-6 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)C |
| InChIKey | UYGHRCCJWWYXMY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-甲基苯甲酸丁酯 (CAS 19277-56-6), with molecular formula C12H16O2 and molecular weight 192.12 g/mol. IUPAC: butyl 4-methylbenzoate.
Chemical Property Profile of 4-甲基苯甲酸丁酯
Property Insights of 4-甲基苯甲酸丁酯
The XLogP value of 4.2 indicates that 4-甲基苯甲酸丁酯 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-甲基苯甲酸丁酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-甲基苯甲酸丁酯 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-甲基苯甲酸丁酯?
The CAS number of 4-甲基苯甲酸丁酯 is 19277-56-6.
What is the molecular formula of 4-甲基苯甲酸丁酯?
The molecular formula of 4-甲基苯甲酸丁酯 is C12H16O2.
What is the molecular weight of 4-甲基苯甲酸丁酯?
The molecular weight of 4-甲基苯甲酸丁酯 is 192.12 g/mol.
Where can I buy 4-甲基苯甲酸丁酯?
You can request a quote for 4-甲基苯甲酸丁酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-甲基苯甲酸丁酯?
Yes, KEHONG BIO provides custom synthesis services for 4-甲基苯甲酸丁酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.