Diethyl hexa-2,4-dienedioate
TL;DR: Diethyl hexa-2,4-dienedioate (CAS 1441-57-2) is a chemical compound with molecular formula C10H14O4 and molecular weight 198.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl hexa-2,4-dienedioate
Also Known As: diethyl hexa-2,4-dienedioate, 2,4-Hexadienedioic acid, diethyl ester, 2,4-Hexadienedioic acid,diethyl ester, Diethyl (2E,4E)-2,4-hexadienedioate
| Molecular Formula | C10H14O4 |
|---|---|
| Molecular Weight | 198.09 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 198.0892 |
| Heavy Atoms | 14 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 1441-57-2 |
|---|---|
| SMILES | CCOC(=O)C=CC=CC(=O)OCC |
| InChIKey | VHIYCPCXACHVJM-UHFFFAOYSA-N |
Product Overview
Diethyl hexa-2,4-dienedioate (CAS 1441-57-2), with molecular formula C10H14O4 and molecular weight 198.09 g/mol. IUPAC: diethyl hexa-2,4-dienedioate.
Chemical Property Profile of Diethyl hexa-2,4-dienedioate
Property Insights of Diethyl hexa-2,4-dienedioate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl hexa-2,4-dienedioate. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl hexa-2,4-dienedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl hexa-2,4-dienedioate 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 Diethyl hexa-2,4-dienedioate?
The CAS number of Diethyl hexa-2,4-dienedioate is 1441-57-2.
What is the molecular formula of Diethyl hexa-2,4-dienedioate?
The molecular formula of Diethyl hexa-2,4-dienedioate is C10H14O4.
What is the molecular weight of Diethyl hexa-2,4-dienedioate?
The molecular weight of Diethyl hexa-2,4-dienedioate is 198.09 g/mol.
Where can I buy Diethyl hexa-2,4-dienedioate?
You can request a quote for Diethyl hexa-2,4-dienedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl hexa-2,4-dienedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl hexa-2,4-dienedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.