2-Butenedioic acid, 2,3-dichloro-, 1-ethyl ester
TL;DR: 2-Butenedioic acid, 2,3-dichloro-, 1-ethyl ester (CAS 110578-81-9) is a chemical compound with molecular formula C6H6Cl2O4 and molecular weight 211.96431 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-2,3-dichloro-4-ethoxy-4-oxobut-2-enoic acid
Also Known As: 2-Butenedioic acid, 2,3-dichloro-, 1-ethyl ester, (E)-2,3-dichloro-4-ethoxy-4-oxobut-2-enoic acid, (E)-2,3-dichloro-4-ethoxy-4-oxo-but-2-enoic Acid
Technical Specifications
| Molecular Formula | C6H6Cl2O4 |
| Molecular Weight | 211.96431 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 211.96431 Da |
| Heavy Atoms | 12 |
| Complexity | 234.0 |
| SMILES | CCOC(=O)/C(=C(/C(=O)O)\Cl)/Cl |
| InChIKey | KVBSAGZIIZSBGB-ONEGZZNKSA-N |
Chemical Property Profile of 2-Butenedioic acid, 2,3-dichloro-, 1-ethyl ester
Property Insights of 2-Butenedioic acid, 2,3-dichloro-, 1-ethyl ester
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butenedioic acid, 2,3-dichloro-, 1-ethyl ester. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Butenedioic acid, 2,3-dichloro-, 1-ethyl ester. Following Lipinski's Rule of Five, 2-Butenedioic acid, 2,3-dichloro-, 1-ethyl ester has 1 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, 2,3-dichloro-, 1-ethyl ester?
The CAS number of 2-Butenedioic acid, 2,3-dichloro-, 1-ethyl ester is 110578-81-9.
What is the molecular formula of 2-Butenedioic acid, 2,3-dichloro-, 1-ethyl ester?
The molecular formula of 2-Butenedioic acid, 2,3-dichloro-, 1-ethyl ester is C6H6Cl2O4.
What is the molecular weight of 2-Butenedioic acid, 2,3-dichloro-, 1-ethyl ester?
The molecular weight of 2-Butenedioic acid, 2,3-dichloro-, 1-ethyl ester is 211.96431 g/mol.
Where can I buy 2-Butenedioic acid, 2,3-dichloro-, 1-ethyl ester?
You can request a quote for 2-Butenedioic acid, 2,3-dichloro-, 1-ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Butenedioic acid, 2,3-dichloro-, 1-ethyl ester?
Yes, CoreyChem provides custom synthesis services for 2-Butenedioic acid, 2,3-dichloro-, 1-ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.