Diheptyl but-2-enedioate
TL;DR: Diheptyl but-2-enedioate (CAS 31983-42-3) is a chemical compound with molecular formula C18H32O4 and molecular weight 312.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diheptyl but-2-enedioate
Also Known As: 2-Butenedioic acid(2Z)-, diheptyl ester (9CI)
| Molecular Formula | C18H32O4 |
|---|---|
| Molecular Weight | 312.23 g/mol |
| LogP | 4.5698 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 14 |
| Exact Mass | 312.23007 |
| Heavy Atoms | 22 |
| Complexity | 280.209 |
Chemical Identifiers
| CAS Number | 31983-42-3 |
|---|---|
| SMILES | CCCCCCCOC(=O)C=CC(=O)OCCCCCCC |
Product Overview
Diheptyl but-2-enedioate (CAS 31983-42-3), with molecular formula C18H32O4 and molecular weight 312.23 g/mol. IUPAC: diheptyl but-2-enedioate.
Chemical Property Profile of Diheptyl but-2-enedioate
Property Insights of Diheptyl but-2-enedioate
The XLogP value of 4.5698 indicates that Diheptyl but-2-enedioate 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 but-2-enedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diheptyl but-2-enedioate 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 but-2-enedioate?
The CAS number of Diheptyl but-2-enedioate is 31983-42-3.
What is the molecular formula of Diheptyl but-2-enedioate?
The molecular formula of Diheptyl but-2-enedioate is C18H32O4.
What is the molecular weight of Diheptyl but-2-enedioate?
The molecular weight of Diheptyl but-2-enedioate is 312.23 g/mol.
Where can I buy Diheptyl but-2-enedioate?
You can request a quote for Diheptyl but-2-enedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diheptyl but-2-enedioate?
Yes, KEHONG BIO provides custom synthesis services for Diheptyl but-2-enedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.