Isopentyl cyclohexanecarboxylate
TL;DR: Isopentyl cyclohexanecarboxylate (CAS 25183-19-1) 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.
3-methylbutyl cyclohexanecarboxylate
Also Known As: Isopentyl cyclohexanecarboxylate, 3-methylbutyl cyclohexanecarboxylate, isopentylcyclohexanecarboxylate, Cyclohexanecarboxylic acid, 3-methylbutyl ester, Isopentyl cyclohexanecarboxylate #
| Molecular Formula | C12H22O2 |
|---|---|
| Molecular Weight | 198.16 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 198.16199 |
| Heavy Atoms | 14 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 25183-19-1 |
|---|---|
| SMILES | CC(C)CCOC(=O)C1CCCCC1 |
| InChIKey | VLALRUKXGDUQFX-UHFFFAOYSA-N |
Product Overview
Isopentyl cyclohexanecarboxylate (CAS 25183-19-1), with molecular formula C12H22O2 and molecular weight 198.16 g/mol. IUPAC: 3-methylbutyl cyclohexanecarboxylate.
Chemical Property Profile of Isopentyl cyclohexanecarboxylate
Property Insights of Isopentyl cyclohexanecarboxylate
The XLogP value of 3.9 indicates that Isopentyl 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, Isopentyl cyclohexanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopentyl 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 Isopentyl cyclohexanecarboxylate?
The CAS number of Isopentyl cyclohexanecarboxylate is 25183-19-1.
What is the molecular formula of Isopentyl cyclohexanecarboxylate?
The molecular formula of Isopentyl cyclohexanecarboxylate is C12H22O2.
What is the molecular weight of Isopentyl cyclohexanecarboxylate?
The molecular weight of Isopentyl cyclohexanecarboxylate is 198.16 g/mol.
Where can I buy Isopentyl cyclohexanecarboxylate?
You can request a quote for Isopentyl cyclohexanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopentyl cyclohexanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Isopentyl cyclohexanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.