2-Butenedioic acid, 2-chloro-, diethyl ester, (Z)-
TL;DR: 2-Butenedioic acid, 2-chloro-, diethyl ester, (Z)- (CAS 10302-94-0) is a chemical compound with molecular formula C8H11ClO4 and molecular weight 206.03459 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl (Z)-2-chlorobut-2-enedioate
Also Known As: Diethyl Chloromaleate, Diethyl chlorofumarate, diethyl (Z)-2-chlorobut-2-enedioate, Chlorofumaric acid diethyl ester, ethyl monoethyl chlorofumarate
Technical Specifications
| Molecular Formula | C8H11ClO4 |
| Molecular Weight | 206.03459 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 206.03459 Da |
| Heavy Atoms | 13 |
| Complexity | 222.0 |
| SMILES | CCOC(=O)/C=C(/C(=O)OCC)\Cl |
| InChIKey | VOEQTGMCAHZUNJ-WAYWQWQTSA-N |
Chemical Property Profile of 2-Butenedioic acid, 2-chloro-, diethyl ester, (Z)-
Property Insights of 2-Butenedioic acid, 2-chloro-, diethyl ester, (Z)-
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butenedioic acid, 2-chloro-, diethyl ester, (Z)-. With a topological polar surface area (TPSA) of 52.6 Ų, 2-Butenedioic acid, 2-chloro-, diethyl ester, (Z)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butenedioic acid, 2-chloro-, diethyl ester, (Z)- 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
What is the CAS number of 2-Butenedioic acid, 2-chloro-, diethyl ester, (Z)-?
The CAS number of 2-Butenedioic acid, 2-chloro-, diethyl ester, (Z)- is 10302-94-0.
What is the molecular formula of 2-Butenedioic acid, 2-chloro-, diethyl ester, (Z)-?
The molecular formula of 2-Butenedioic acid, 2-chloro-, diethyl ester, (Z)- is C8H11ClO4.
What is the molecular weight of 2-Butenedioic acid, 2-chloro-, diethyl ester, (Z)-?
The molecular weight of 2-Butenedioic acid, 2-chloro-, diethyl ester, (Z)- is 206.03459 g/mol.
Where can I buy 2-Butenedioic acid, 2-chloro-, diethyl ester, (Z)-?
You can request a quote for 2-Butenedioic acid, 2-chloro-, diethyl ester, (Z)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Butenedioic acid, 2-chloro-, diethyl ester, (Z)-?
Yes, CoreyChem provides custom synthesis services for 2-Butenedioic acid, 2-chloro-, diethyl ester, (Z)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.