cis,cis-1,3-Butadiene-1,4-dicarboxylic acid, diethyl ester
TL;DR: cis,cis-1,3-Butadiene-1,4-dicarboxylic acid, diethyl ester (CAS 6032-77-5) 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 (2Z,4Z)-hexa-2,4-dienedioate
Also Known As: Diethyl (Z,Z)-muconate, Diethyl muconate, (Z,E)-, Diethyl cis,cis-muconate, (Z,Z)-diethyl muconate, cis,cis-Muconic acid, diethyl ester
| Molecular Formula | C10H14O4 |
|---|---|
| Molecular Weight | 198.09 g/mol |
| LogP | 1.225 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 198.0892 |
| Heavy Atoms | 14 |
| Complexity | 214.50655 |
Chemical Identifiers
| CAS Number | 6032-77-5 |
|---|---|
| SMILES | CCOC(=O)/C=C\C=C/C(=O)OCC |
Product Overview
cis,cis-1,3-Butadiene-1,4-dicarboxylic acid, diethyl ester (CAS 6032-77-5), with molecular formula C10H14O4 and molecular weight 198.09 g/mol. IUPAC: diethyl (2Z,4Z)-hexa-2,4-dienedioate.
Chemical Property Profile of cis,cis-1,3-Butadiene-1,4-dicarboxylic acid, diethyl ester
Property Insights of cis,cis-1,3-Butadiene-1,4-dicarboxylic acid, diethyl ester
The XLogP value of 1.225 suggests moderate lipophilicity, balancing water solubility and membrane permeability for cis,cis-1,3-Butadiene-1,4-dicarboxylic acid, diethyl ester. With a topological polar surface area (TPSA) of 52.6 Ų, cis,cis-1,3-Butadiene-1,4-dicarboxylic acid, diethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, cis,cis-1,3-Butadiene-1,4-dicarboxylic acid, diethyl ester 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 cis,cis-1,3-Butadiene-1,4-dicarboxylic acid, diethyl ester?
The CAS number of cis,cis-1,3-Butadiene-1,4-dicarboxylic acid, diethyl ester is 6032-77-5.
What is the molecular formula of cis,cis-1,3-Butadiene-1,4-dicarboxylic acid, diethyl ester?
The molecular formula of cis,cis-1,3-Butadiene-1,4-dicarboxylic acid, diethyl ester is C10H14O4.
What is the molecular weight of cis,cis-1,3-Butadiene-1,4-dicarboxylic acid, diethyl ester?
The molecular weight of cis,cis-1,3-Butadiene-1,4-dicarboxylic acid, diethyl ester is 198.09 g/mol.
Where can I buy cis,cis-1,3-Butadiene-1,4-dicarboxylic acid, diethyl ester?
You can request a quote for cis,cis-1,3-Butadiene-1,4-dicarboxylic acid, diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cis,cis-1,3-Butadiene-1,4-dicarboxylic acid, diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for cis,cis-1,3-Butadiene-1,4-dicarboxylic acid, diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.