Di-n-butylacetaldehyde
TL;DR: Di-n-butylacetaldehyde (CAS 18459-51-3) is a chemical compound with molecular formula C10H20O and molecular weight 156.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butylhexanal
Also Known As: 2-butylhexanal, Di-n-butylacetaldehyde, 2-butyl-hexanal, dibutylacetaldehyde, Hexanal, 2-butyl-
| Molecular Formula | C10H20O |
|---|---|
| Molecular Weight | 156.15 g/mol |
| LogP | 3.1819 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 156.15141 |
| Heavy Atoms | 11 |
| Complexity | 80.873566 |
Chemical Identifiers
| CAS Number | 18459-51-3 |
|---|---|
| SMILES | CCCCC(CCCC)C=O |
Product Overview
Di-n-butylacetaldehyde (CAS 18459-51-3), with molecular formula C10H20O and molecular weight 156.15 g/mol. IUPAC: 2-butylhexanal.
Chemical Property Profile of Di-n-butylacetaldehyde
Property Insights of Di-n-butylacetaldehyde
The XLogP value of 3.1819 indicates that Di-n-butylacetaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, Di-n-butylacetaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Di-n-butylacetaldehyde has 0 hydrogen bond donor(s) and 1 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 Di-n-butylacetaldehyde?
The CAS number of Di-n-butylacetaldehyde is 18459-51-3.
What is the molecular formula of Di-n-butylacetaldehyde?
The molecular formula of Di-n-butylacetaldehyde is C10H20O.
What is the molecular weight of Di-n-butylacetaldehyde?
The molecular weight of Di-n-butylacetaldehyde is 156.15 g/mol.
Where can I buy Di-n-butylacetaldehyde?
You can request a quote for Di-n-butylacetaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Di-n-butylacetaldehyde?
Yes, KEHONG BIO provides custom synthesis services for Di-n-butylacetaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.