Butanoic acid, 1-methyloctyl ester
TL;DR: Butanoic acid, 1-methyloctyl ester (CAS 69727-42-0) is a chemical compound with molecular formula C13H26O2 and molecular weight 214.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
nonan-2-yl butanoate
Also Known As: nonan-2-yl butanoate, 2-Nonyl butanoate, 1-Methyloctyl butyrate, 1-methyloctyl butanoate, Butanoic acid, 1-methyloctyl ester
| Molecular Formula | C13H26O2 |
|---|---|
| Molecular Weight | 214.19 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 214.19328 |
| Heavy Atoms | 15 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 69727-42-0 |
|---|---|
| SMILES | CCCCCCCC(C)OC(=O)CCC |
| InChIKey | HDDMRYSBWLSCQP-UHFFFAOYSA-N |
Product Overview
Butanoic acid, 1-methyloctyl ester (CAS 69727-42-0), with molecular formula C13H26O2 and molecular weight 214.19 g/mol. IUPAC: nonan-2-yl butanoate.
Chemical Property Profile of Butanoic acid, 1-methyloctyl ester
Property Insights of Butanoic acid, 1-methyloctyl ester
The XLogP value of 4.8 indicates that Butanoic acid, 1-methyloctyl 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, Butanoic acid, 1-methyloctyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanoic acid, 1-methyloctyl ester 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 Butanoic acid, 1-methyloctyl ester?
The CAS number of Butanoic acid, 1-methyloctyl ester is 69727-42-0.
What is the molecular formula of Butanoic acid, 1-methyloctyl ester?
The molecular formula of Butanoic acid, 1-methyloctyl ester is C13H26O2.
What is the molecular weight of Butanoic acid, 1-methyloctyl ester?
The molecular weight of Butanoic acid, 1-methyloctyl ester is 214.19 g/mol.
Where can I buy Butanoic acid, 1-methyloctyl ester?
You can request a quote for Butanoic acid, 1-methyloctyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanoic acid, 1-methyloctyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 1-methyloctyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.