丁酸癸酯
TL;DR: 丁酸癸酯 (CAS 1029-29-4) is a chemical compound with molecular formula C14H28O2 and molecular weight 228.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丁酸癸酯
decyl butanoate
Also Known As: Decyl butyrate, Decyl butanoate, Butanoic acid, decyl ester, Butyric acid, decyl ester, decylbutanoate
| Molecular Formula | C14H28O2 |
|---|---|
| Molecular Weight | 228.21 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 228.20892 |
| Heavy Atoms | 16 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 1029-29-4 |
|---|---|
| SMILES | CCCCCCCCCCOC(=O)CCC |
| InChIKey | PUCQHFICPFUPKW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丁酸癸酯 (CAS 1029-29-4), with molecular formula C14H28O2 and molecular weight 228.21 g/mol. IUPAC: decyl butanoate.
Chemical Property Profile of 丁酸癸酯
Property Insights of 丁酸癸酯
The XLogP value of 5.3 indicates that 丁酸癸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 丁酸癸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丁酸癸酯 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 丁酸癸酯?
The CAS number of 丁酸癸酯 is 1029-29-4.
What is the molecular formula of 丁酸癸酯?
The molecular formula of 丁酸癸酯 is C14H28O2.
What is the molecular weight of 丁酸癸酯?
The molecular weight of 丁酸癸酯 is 228.21 g/mol.
Where can I buy 丁酸癸酯?
You can request a quote for 丁酸癸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丁酸癸酯?
Yes, KEHONG BIO provides custom synthesis services for 丁酸癸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.