1-Methylpropyl cyclohexanecarboxylate
TL;DR: 1-Methylpropyl cyclohexanecarboxylate (CAS 6553-82-8) 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.
butan-2-yl cyclohexanecarboxylate
Also Known As: 1-Methylpropyl cyclohexanecarboxylate, sec-butyl cyclohexanecarboxylate, butan-2-yl cyclohexanecarboxylate, 1-methylpropylcyclohexanecarboxylate, Cyclohexanecarboxylic acid sec-butyl 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 | 159.0 |
Chemical Identifiers
| CAS Number | 6553-82-8 |
|---|---|
| SMILES | CCC(C)OC(=O)C1CCCCC1 |
| InChIKey | ZCNBPOAOAOYPLJ-UHFFFAOYSA-N |
Product Overview
1-Methylpropyl cyclohexanecarboxylate (CAS 6553-82-8), with molecular formula C11H20O2 and molecular weight 184.15 g/mol. IUPAC: butan-2-yl cyclohexanecarboxylate.
Chemical Property Profile of 1-Methylpropyl cyclohexanecarboxylate
Property Insights of 1-Methylpropyl cyclohexanecarboxylate
The XLogP value of 3.5 indicates that 1-Methylpropyl 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, 1-Methylpropyl cyclohexanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methylpropyl 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 1-Methylpropyl cyclohexanecarboxylate?
The CAS number of 1-Methylpropyl cyclohexanecarboxylate is 6553-82-8.
What is the molecular formula of 1-Methylpropyl cyclohexanecarboxylate?
The molecular formula of 1-Methylpropyl cyclohexanecarboxylate is C11H20O2.
What is the molecular weight of 1-Methylpropyl cyclohexanecarboxylate?
The molecular weight of 1-Methylpropyl cyclohexanecarboxylate is 184.15 g/mol.
Where can I buy 1-Methylpropyl cyclohexanecarboxylate?
You can request a quote for 1-Methylpropyl cyclohexanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methylpropyl cyclohexanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1-Methylpropyl cyclohexanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.