Dihexyl Malonate
TL;DR: Dihexyl Malonate (CAS 1431-37-4) is a chemical compound with molecular formula C15H28O4 and molecular weight 272.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dihexyl propanedioate
Also Known As: Dihexyl Malonate, Dihexyl Propanedioate, dihexylmalonate, di-n-hexyl malonate, Malonic Acid Dihexyl Ester
| Molecular Formula | C15H28O4 |
|---|---|
| Molecular Weight | 272.20 g/mol |
| LogP | 3.6235 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 272.19876 |
| Heavy Atoms | 19 |
| Complexity | 214.30008 |
Chemical Identifiers
| CAS Number | 1431-37-4 |
|---|---|
| SMILES | CCCCCCOC(=O)CC(=O)OCCCCCC |
Product Overview
Dihexyl Malonate (CAS 1431-37-4), with molecular formula C15H28O4 and molecular weight 272.20 g/mol. IUPAC: dihexyl propanedioate.
Chemical Property Profile of Dihexyl Malonate
Property Insights of Dihexyl Malonate
The XLogP value of 3.6235 indicates that Dihexyl Malonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Dihexyl Malonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dihexyl Malonate has 0 hydrogen bond donor(s) and 4 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 Dihexyl Malonate?
The CAS number of Dihexyl Malonate is 1431-37-4.
What is the molecular formula of Dihexyl Malonate?
The molecular formula of Dihexyl Malonate is C15H28O4.
What is the molecular weight of Dihexyl Malonate?
The molecular weight of Dihexyl Malonate is 272.20 g/mol.
Where can I buy Dihexyl Malonate?
You can request a quote for Dihexyl Malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dihexyl Malonate?
Yes, KEHONG BIO provides custom synthesis services for Dihexyl Malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.