o-Tolyl cyclohexanecarboxylate
TL;DR: o-Tolyl cyclohexanecarboxylate (CAS 18731-58-3) 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.
(2-methylphenyl) cyclohexanecarboxylate
Also Known As: o-Tolyl cyclohexanecarboxylate, 2-Methylphenyl cyclohexanecarboxylate, (2-methylphenyl) cyclohexanecarboxylate, o-cresyl cyclohexanecarboxylate, 2-Methylphenyl cyclohexanecarboxylate #
| Molecular Formula | C14H18O2 |
|---|---|
| Molecular Weight | 218.13 g/mol |
| LogP | 3.7 |
| 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 | 18731-58-3 |
|---|---|
| SMILES | CC1=CC=CC=C1OC(=O)C2CCCCC2 |
| InChIKey | UTBUSXPYYDGYGA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
o-Tolyl cyclohexanecarboxylate (CAS 18731-58-3), with molecular formula C14H18O2 and molecular weight 218.13 g/mol. IUPAC: (2-methylphenyl) cyclohexanecarboxylate.
Chemical Property Profile of o-Tolyl cyclohexanecarboxylate
Property Insights of o-Tolyl cyclohexanecarboxylate
The XLogP value of 3.7 indicates that o-Tolyl cyclohexanecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, o-Tolyl cyclohexanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-Tolyl cyclohexanecarboxylate 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 o-Tolyl cyclohexanecarboxylate?
The CAS number of o-Tolyl cyclohexanecarboxylate is 18731-58-3.
What is the molecular formula of o-Tolyl cyclohexanecarboxylate?
The molecular formula of o-Tolyl cyclohexanecarboxylate is C14H18O2.
What is the molecular weight of o-Tolyl cyclohexanecarboxylate?
The molecular weight of o-Tolyl cyclohexanecarboxylate is 218.13 g/mol.
Where can I buy o-Tolyl cyclohexanecarboxylate?
You can request a quote for o-Tolyl cyclohexanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-Tolyl cyclohexanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for o-Tolyl cyclohexanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.