Isobutyl cyclohexanecarboxylate
TL;DR: Isobutyl cyclohexanecarboxylate (CAS 37425-80-2) is a chemical compound with molecular formula C11H20O2 and molecular weight 184.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl cyclohexanecarboxylate
Also Known As: Isobutyl cyclohexanecarboxylate, 2-methylpropyl cyclohexanecarboxylate, EINECS 253-362-9, Isobutyl cyclohexanecarboxylate #, Cyclohexanecarboxylic acid, 2-methylpropyl ester
| Molecular Formula | C11H20O2 |
|---|---|
| Molecular Weight | 184.15 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 184.14633 |
| Heavy Atoms | 13 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 37425-80-2 |
|---|---|
| SMILES | CC(C)COC(=O)C1CCCCC1 |
| InChIKey | HTOQALXUSKONGW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isobutyl cyclohexanecarboxylate (CAS 37425-80-2), with molecular formula C11H20O2 and molecular weight 184.15 g/mol. IUPAC: 2-methylpropyl cyclohexanecarboxylate.
Chemical Property Profile of Isobutyl cyclohexanecarboxylate
Property Insights of Isobutyl cyclohexanecarboxylate
The XLogP value of 3.5 indicates that Isobutyl 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, Isobutyl cyclohexanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutyl 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 Isobutyl cyclohexanecarboxylate?
The CAS number of Isobutyl cyclohexanecarboxylate is 37425-80-2.
What is the molecular formula of Isobutyl cyclohexanecarboxylate?
The molecular formula of Isobutyl cyclohexanecarboxylate is C11H20O2.
What is the molecular weight of Isobutyl cyclohexanecarboxylate?
The molecular weight of Isobutyl cyclohexanecarboxylate is 184.15 g/mol.
Where can I buy Isobutyl cyclohexanecarboxylate?
You can request a quote for Isobutyl cyclohexanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobutyl cyclohexanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Isobutyl cyclohexanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.