Diheptyl malonate
TL;DR: Diheptyl malonate (CAS 1117-18-6) is a chemical compound with molecular formula C17H32O4 and molecular weight 300.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diheptyl propanedioate
Also Known As: diheptyl malonate, Diheptyl Propanedioate, diheptyl-malonate, DI-N-HEPTYL MALONATE, 1,3-diheptyl propanedioate
| Molecular Formula | C17H32O4 |
|---|---|
| Molecular Weight | 300.23 g/mol |
| LogP | 4.4037 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 14 |
| Exact Mass | 300.23007 |
| Heavy Atoms | 21 |
| Complexity | 237.51572 |
Chemical Identifiers
| CAS Number | 1117-18-6 |
|---|---|
| SMILES | CCCCCCCOC(=O)CC(=O)OCCCCCCC |
Product Overview
Diheptyl malonate (CAS 1117-18-6), with molecular formula C17H32O4 and molecular weight 300.23 g/mol. IUPAC: diheptyl propanedioate.
Chemical Property Profile of Diheptyl malonate
Property Insights of Diheptyl malonate
The XLogP value of 4.4037 indicates that Diheptyl 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, Diheptyl malonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diheptyl 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 Diheptyl malonate?
The CAS number of Diheptyl malonate is 1117-18-6.
What is the molecular formula of Diheptyl malonate?
The molecular formula of Diheptyl malonate is C17H32O4.
What is the molecular weight of Diheptyl malonate?
The molecular weight of Diheptyl malonate is 300.23 g/mol.
Where can I buy Diheptyl malonate?
You can request a quote for Diheptyl malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diheptyl malonate?
Yes, KEHONG BIO provides custom synthesis services for Diheptyl malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.