Pentyl cyclohexanecarboxylate
TL;DR: Pentyl cyclohexanecarboxylate (CAS 6553-83-9) is a chemical compound with molecular formula C12H22O2 and molecular weight 198.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentyl cyclohexanecarboxylate
Also Known As: Pentyl cyclohexanecarboxylate, Pentyl cyclohexanecarboxylate #, Cyclohexanecarboxylic acid, pentyl ester, Cyclohexanecarboxylic acid pentyl ester, Cyclohexanecarboxylic acid,pentyl ester
| Molecular Formula | C12H22O2 |
|---|---|
| Molecular Weight | 198.16 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 198.16199 |
| Heavy Atoms | 14 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 6553-83-9 |
|---|---|
| SMILES | CCCCCOC(=O)C1CCCCC1 |
| InChIKey | QLFARUWYJWNPLX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentyl cyclohexanecarboxylate (CAS 6553-83-9), with molecular formula C12H22O2 and molecular weight 198.16 g/mol. IUPAC: pentyl cyclohexanecarboxylate.
Chemical Property Profile of Pentyl cyclohexanecarboxylate
Property Insights of Pentyl cyclohexanecarboxylate
The XLogP value of 4.0 indicates that Pentyl 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, Pentyl cyclohexanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentyl 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 Pentyl cyclohexanecarboxylate?
The CAS number of Pentyl cyclohexanecarboxylate is 6553-83-9.
What is the molecular formula of Pentyl cyclohexanecarboxylate?
The molecular formula of Pentyl cyclohexanecarboxylate is C12H22O2.
What is the molecular weight of Pentyl cyclohexanecarboxylate?
The molecular weight of Pentyl cyclohexanecarboxylate is 198.16 g/mol.
Where can I buy Pentyl cyclohexanecarboxylate?
You can request a quote for Pentyl cyclohexanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentyl cyclohexanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Pentyl cyclohexanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.