4-甲基苯甲酸2-甲基丙酯
TL;DR: 4-甲基苯甲酸2-甲基丙酯 (CAS 29240-30-0) 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2-甲基丙酯
2-methylpropyl 4-methylbenzoate
Also Known As: 2-methylpropyl 4-methylbenzoate, p-Toluic acid, isobutyl ester, Isobutyl 4-methylbenzoate, p-toluic acid isobutyl ester, Benzoic acid, 4-methyl-, 2-methylpropyl ester
| Molecular Formula | C12H16O2 |
|---|---|
| Molecular Weight | 192.12 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 192.11504 |
| Heavy Atoms | 14 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 29240-30-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)OCC(C)C |
| InChIKey | IELVQABKIBOBRG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-甲基苯甲酸2-甲基丙酯 (CAS 29240-30-0), with molecular formula C12H16O2 and molecular weight 192.12 g/mol. IUPAC: 2-methylpropyl 4-methylbenzoate.
Chemical Property Profile of 4-甲基苯甲酸2-甲基丙酯
Property Insights of 4-甲基苯甲酸2-甲基丙酯
The XLogP value of 3.8 indicates that 4-甲基苯甲酸2-甲基丙酯 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2-甲基丙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-甲基苯甲酸2-甲基丙酯 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2-甲基丙酯?
The CAS number of 4-甲基苯甲酸2-甲基丙酯 is 29240-30-0.
What is the molecular formula of 4-甲基苯甲酸2-甲基丙酯?
The molecular formula of 4-甲基苯甲酸2-甲基丙酯 is C12H16O2.
What is the molecular weight of 4-甲基苯甲酸2-甲基丙酯?
The molecular weight of 4-甲基苯甲酸2-甲基丙酯 is 192.12 g/mol.
Where can I buy 4-甲基苯甲酸2-甲基丙酯?
You can request a quote for 4-甲基苯甲酸2-甲基丙酯 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2-甲基丙酯?
Yes, KEHONG BIO provides custom synthesis services for 4-甲基苯甲酸2-甲基丙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.