Decanoic acid, 5-ethyl-3,5,9-trimethyl-, methyl ester
TL;DR: Decanoic acid, 5-ethyl-3,5,9-trimethyl-, methyl ester (CAS 56247-63-3) is a chemical compound with molecular formula C16H32O2 and molecular weight 256.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-ethyl-3,5,9-trimethyldecanoate
Also Known As: Methyl 5-ethyl-3,5,9-trimethyldecanoate, 5-Ethyl-3,5,9-trimethyldecanoicacidmethylester, Methyl 5-ethyl-3,5,9-trimethyldecanoate #, 5-Ethyl-3,5,9-trimethyldecanoic acid methyl ester, Decanoic acid, 5-ethyl-3,5,9-trimethyl-, methyl ester
| Molecular Formula | C16H32O2 |
|---|---|
| Molecular Weight | 256.24 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 256.24023 |
| Heavy Atoms | 18 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 56247-63-3 |
|---|---|
| SMILES | CCC(C)(CCCC(C)C)CC(C)CC(=O)OC |
| InChIKey | LSSRSNGQFHSITR-UHFFFAOYSA-N |
Product Overview
Decanoic acid, 5-ethyl-3,5,9-trimethyl-, methyl ester (CAS 56247-63-3), with molecular formula C16H32O2 and molecular weight 256.24 g/mol. IUPAC: methyl 5-ethyl-3,5,9-trimethyldecanoate.
Chemical Property Profile of Decanoic acid, 5-ethyl-3,5,9-trimethyl-, methyl ester
Property Insights of Decanoic acid, 5-ethyl-3,5,9-trimethyl-, methyl ester
The XLogP value of 6.1 indicates that Decanoic acid, 5-ethyl-3,5,9-trimethyl-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Decanoic acid, 5-ethyl-3,5,9-trimethyl-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Decanoic acid, 5-ethyl-3,5,9-trimethyl-, methyl ester 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 Decanoic acid, 5-ethyl-3,5,9-trimethyl-, methyl ester?
The CAS number of Decanoic acid, 5-ethyl-3,5,9-trimethyl-, methyl ester is 56247-63-3.
What is the molecular formula of Decanoic acid, 5-ethyl-3,5,9-trimethyl-, methyl ester?
The molecular formula of Decanoic acid, 5-ethyl-3,5,9-trimethyl-, methyl ester is C16H32O2.
What is the molecular weight of Decanoic acid, 5-ethyl-3,5,9-trimethyl-, methyl ester?
The molecular weight of Decanoic acid, 5-ethyl-3,5,9-trimethyl-, methyl ester is 256.24 g/mol.
Where can I buy Decanoic acid, 5-ethyl-3,5,9-trimethyl-, methyl ester?
You can request a quote for Decanoic acid, 5-ethyl-3,5,9-trimethyl-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Decanoic acid, 5-ethyl-3,5,9-trimethyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Decanoic acid, 5-ethyl-3,5,9-trimethyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.