4-甲基环己基丁酸酯
TL;DR: 4-甲基环己基丁酸酯 (CAS 16491-37-5) 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.
4-甲基环己基丁酸酯
(4-methylcyclohexyl) butanoate
Also Known As: 4-Methylcyclohexyl butyrate, (4-methylcyclohexyl) butanoate, 4-METHYLCYCLOHEXYL BUTANOATE, Butanoic acid, 4-methylcyclohexyl ester, Butanoic acid 4-methylcyclohexyl ester
| Molecular Formula | C11H20O2 |
|---|---|
| Molecular Weight | 184.15 g/mol |
| LogP | 3.0 |
| 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 | 157.0 |
Chemical Identifiers
| CAS Number | 16491-37-5 |
|---|---|
| SMILES | CCCC(=O)OC1CCC(CC1)C |
| InChIKey | QKCCZGILHFUAHN-UHFFFAOYSA-N |
Product Overview
4-甲基环己基丁酸酯 (CAS 16491-37-5), with molecular formula C11H20O2 and molecular weight 184.15 g/mol. IUPAC: (4-methylcyclohexyl) butanoate.
Chemical Property Profile of 4-甲基环己基丁酸酯
Property Insights of 4-甲基环己基丁酸酯
The XLogP value of 3.0 indicates that 4-甲基环己基丁酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 4-甲基环己基丁酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-甲基环己基丁酸酯 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-甲基环己基丁酸酯?
The CAS number of 4-甲基环己基丁酸酯 is 16491-37-5.
What is the molecular formula of 4-甲基环己基丁酸酯?
The molecular formula of 4-甲基环己基丁酸酯 is C11H20O2.
What is the molecular weight of 4-甲基环己基丁酸酯?
The molecular weight of 4-甲基环己基丁酸酯 is 184.15 g/mol.
Where can I buy 4-甲基环己基丁酸酯?
You can request a quote for 4-甲基环己基丁酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-甲基环己基丁酸酯?
Yes, KEHONG BIO provides custom synthesis services for 4-甲基环己基丁酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.