Cyclohexyl butyrate
TL;DR: Cyclohexyl butyrate (CAS 1551-44-6) is a chemical compound with molecular formula C10H18O2 and molecular weight 170.13068 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
cyclohexyl butanoate
Also Known As: Cyclohexyl butyrate, Cyclohexyl butanoate, Butanoic acid, cyclohexyl ester, Cyclohexanyl butyrate, Cyclohexyl n-butyrate
Application Areas
Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H18O2 |
| Molecular Weight | 170.13068 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 170.13068 Da |
| Heavy Atoms | 12 |
| Complexity | 137.0 |
| SMILES | CCCC(=O)OC1CCCCC1 |
| InChIKey | VZHUBBUZNIULNM-UHFFFAOYSA-N |
Chemical Property Profile of Cyclohexyl butyrate
Property Insights of Cyclohexyl butyrate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohexyl butyrate. With a topological polar surface area (TPSA) of 26.3 Ų, Cyclohexyl butyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexyl butyrate 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
What is the CAS number of Cyclohexyl butyrate?
The CAS number of Cyclohexyl butyrate is 1551-44-6.
What is the molecular formula of Cyclohexyl butyrate?
The molecular formula of Cyclohexyl butyrate is C10H18O2.
What is the molecular weight of Cyclohexyl butyrate?
The molecular weight of Cyclohexyl butyrate is 170.13068 g/mol.
Where can I buy Cyclohexyl butyrate?
You can request a quote for Cyclohexyl butyrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cyclohexyl butyrate?
Yes, CoreyChem provides custom synthesis services for Cyclohexyl butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.