2-Pentenedioic acid, diethyl ester
TL;DR: 2-Pentenedioic acid, diethyl ester (CAS 73192-75-3) is a chemical compound with molecular formula C9H14O4 and molecular weight 186.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl (Z)-pent-2-enedioate
Also Known As: Diethyl glutaconate, 2-Pentenedioic acid, diethyl ester, diethyl (Z)-pent-2-enedioate, Diethyl pent-2-enedioate, Glutaconsaeure-diethylester
| Molecular Formula | C9H14O4 |
|---|---|
| Molecular Weight | 186.09 g/mol |
| LogP | 1.0589 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 186.0892 |
| Heavy Atoms | 13 |
| Complexity | 195.79138 |
Chemical Identifiers
| CAS Number | 73192-75-3 |
|---|---|
| SMILES | CCOC(=O)C/C=C\C(=O)OCC |
Product Overview
2-Pentenedioic acid, diethyl ester (CAS 73192-75-3), with molecular formula C9H14O4 and molecular weight 186.09 g/mol. IUPAC: diethyl (Z)-pent-2-enedioate.
Chemical Property Profile of 2-Pentenedioic acid, diethyl ester
Property Insights of 2-Pentenedioic acid, diethyl ester
The XLogP value of 1.0589 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Pentenedioic acid, diethyl ester. With a topological polar surface area (TPSA) of 52.6 Ų, 2-Pentenedioic acid, diethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Pentenedioic 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 2-Pentenedioic acid, diethyl ester?
The CAS number of 2-Pentenedioic acid, diethyl ester is 73192-75-3.
What is the molecular formula of 2-Pentenedioic acid, diethyl ester?
The molecular formula of 2-Pentenedioic acid, diethyl ester is C9H14O4.
What is the molecular weight of 2-Pentenedioic acid, diethyl ester?
The molecular weight of 2-Pentenedioic acid, diethyl ester is 186.09 g/mol.
Where can I buy 2-Pentenedioic acid, diethyl ester?
You can request a quote for 2-Pentenedioic 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 2-Pentenedioic acid, diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Pentenedioic acid, diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.