Butyl cyclohexanecarboxylate
TL;DR: Butyl cyclohexanecarboxylate (CAS 6553-81-7) 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.
butyl cyclohexanecarboxylate
Also Known As: Butyl cyclohexanecarboxylate, Cyclohexanecarboxylic acid, butyl ester, 1-butyl cyclohexanecarboxylate, Butyl cyclohexanecarboxylate #, Cyclohexanecarboxylic acid butyl ester
| Molecular Formula | C11H20O2 |
|---|---|
| Molecular Weight | 184.15 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 184.14633 |
| Heavy Atoms | 13 |
| Complexity | 148.0 |
Chemical Identifiers
| CAS Number | 6553-81-7 |
|---|---|
| SMILES | CCCCOC(=O)C1CCCCC1 |
| InChIKey | IPGMIYAOWRJGBE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyl cyclohexanecarboxylate (CAS 6553-81-7), with molecular formula C11H20O2 and molecular weight 184.15 g/mol. IUPAC: butyl cyclohexanecarboxylate.
Chemical Property Profile of Butyl cyclohexanecarboxylate
Property Insights of Butyl cyclohexanecarboxylate
The XLogP value of 3.4 indicates that Butyl 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, Butyl cyclohexanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 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 Butyl cyclohexanecarboxylate?
The CAS number of Butyl cyclohexanecarboxylate is 6553-81-7.
What is the molecular formula of Butyl cyclohexanecarboxylate?
The molecular formula of Butyl cyclohexanecarboxylate is C11H20O2.
What is the molecular weight of Butyl cyclohexanecarboxylate?
The molecular weight of Butyl cyclohexanecarboxylate is 184.15 g/mol.
Where can I buy Butyl cyclohexanecarboxylate?
You can request a quote for Butyl cyclohexanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl cyclohexanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Butyl cyclohexanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.