Cyclohexyl 2-methylbenzoate
TL;DR: Cyclohexyl 2-methylbenzoate (CAS 6906-37-2) is a chemical compound with molecular formula C14H18O2 and molecular weight 218.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclohexyl 2-methylbenzoate
Also Known As: Cyclohexyl 2-methylbenzoate, o-Toluic acid, cyclohexyl ester, Cyclohexyl 2-methylbenzoate #, AN-652/41399042
| Molecular Formula | C14H18O2 |
|---|---|
| Molecular Weight | 218.13 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.13068 |
| Heavy Atoms | 16 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 6906-37-2 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)OC2CCCCC2 |
| InChIKey | KKKVYPZSZCHWFW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclohexyl 2-methylbenzoate (CAS 6906-37-2), with molecular formula C14H18O2 and molecular weight 218.13 g/mol. IUPAC: cyclohexyl 2-methylbenzoate.
Chemical Property Profile of Cyclohexyl 2-methylbenzoate
Property Insights of Cyclohexyl 2-methylbenzoate
The XLogP value of 4.6 indicates that Cyclohexyl 2-methylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Cyclohexyl 2-methylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexyl 2-methylbenzoate 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 Cyclohexyl 2-methylbenzoate?
The CAS number of Cyclohexyl 2-methylbenzoate is 6906-37-2.
What is the molecular formula of Cyclohexyl 2-methylbenzoate?
The molecular formula of Cyclohexyl 2-methylbenzoate is C14H18O2.
What is the molecular weight of Cyclohexyl 2-methylbenzoate?
The molecular weight of Cyclohexyl 2-methylbenzoate is 218.13 g/mol.
Where can I buy Cyclohexyl 2-methylbenzoate?
You can request a quote for Cyclohexyl 2-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexyl 2-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexyl 2-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.