4-Acetyl-4-pentylcyclohexan-1-one
TL;DR: 4-Acetyl-4-pentylcyclohexan-1-one (CAS 76921-65-8) is a chemical compound with molecular formula C13H22O2 and molecular weight 210.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-acetyl-4-pentylcyclohexan-1-one
Also Known As: 4-acetyl-4-pentylcyclohexan-1-one, 4-acetyl-4-pentylcyclohexanone, 12N-245
| Molecular Formula | C13H22O2 |
|---|---|
| Molecular Weight | 210.16 g/mol |
| LogP | 3.2852 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 210.16199 |
| Heavy Atoms | 15 |
| Complexity | 232.9205 |
Chemical Identifiers
| CAS Number | 76921-65-8 |
|---|---|
| SMILES | CCCCCC1(CCC(=O)CC1)C(=O)C |
Product Overview
4-Acetyl-4-pentylcyclohexan-1-one (CAS 76921-65-8), with molecular formula C13H22O2 and molecular weight 210.16 g/mol. IUPAC: 4-acetyl-4-pentylcyclohexan-1-one.
Chemical Property Profile of 4-Acetyl-4-pentylcyclohexan-1-one
Property Insights of 4-Acetyl-4-pentylcyclohexan-1-one
The XLogP value of 3.2852 indicates that 4-Acetyl-4-pentylcyclohexan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.14 Ų, 4-Acetyl-4-pentylcyclohexan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Acetyl-4-pentylcyclohexan-1-one 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 4-Acetyl-4-pentylcyclohexan-1-one?
The CAS number of 4-Acetyl-4-pentylcyclohexan-1-one is 76921-65-8.
What is the molecular formula of 4-Acetyl-4-pentylcyclohexan-1-one?
The molecular formula of 4-Acetyl-4-pentylcyclohexan-1-one is C13H22O2.
What is the molecular weight of 4-Acetyl-4-pentylcyclohexan-1-one?
The molecular weight of 4-Acetyl-4-pentylcyclohexan-1-one is 210.16 g/mol.
Where can I buy 4-Acetyl-4-pentylcyclohexan-1-one?
You can request a quote for 4-Acetyl-4-pentylcyclohexan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Acetyl-4-pentylcyclohexan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Acetyl-4-pentylcyclohexan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.