Methyl cumate
TL;DR: Methyl cumate (CAS 23199-32-8) 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.
methyl 4-propan-2-ylbenzoate
Also Known As: Methyl 4-isopropylbenzoate, Methyl cumate, Methyl cuminate, Methyl p-isopropylbenzoate, methyl 4-propan-2-ylbenzoate
| Molecular Formula | C11H14O2 |
|---|---|
| Molecular Weight | 178.10 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 178.09938 |
| Heavy Atoms | 13 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 23199-32-8 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)C(=O)OC |
| InChIKey | IPIVTJSCIHXKOE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl cumate (CAS 23199-32-8), with molecular formula C11H14O2 and molecular weight 178.10 g/mol. IUPAC: methyl 4-propan-2-ylbenzoate.
Chemical Property Profile of Methyl cumate
Property Insights of Methyl cumate
The XLogP value of 3.5 indicates that Methyl cumate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl cumate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl cumate 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 Methyl cumate?
The CAS number of Methyl cumate is 23199-32-8.
What is the molecular formula of Methyl cumate?
The molecular formula of Methyl cumate is C11H14O2.
What is the molecular weight of Methyl cumate?
The molecular weight of Methyl cumate is 178.10 g/mol.
Where can I buy Methyl cumate?
You can request a quote for Methyl cumate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl cumate?
Yes, KEHONG BIO provides custom synthesis services for Methyl cumate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.