2-Butenedioic acid, 2-chloro-, 1-ethyl ester
TL;DR: 2-Butenedioic acid, 2-chloro-, 1-ethyl ester (CAS 110592-57-9) is a chemical compound with molecular formula C6H7ClO4 and molecular weight 178.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-chloro-4-ethoxy-4-oxobut-2-enoic acid
Also Known As: 2-Butenedioic acid, 2-chloro-, 1-ethyl ester, (Z)-3-chloro-4-ethoxy-4-oxobut-2-enoic acid, (Z)-3-chloro-4-ethoxy-4-oxo-but-2-enoic Acid
| Molecular Formula | C6H7ClO4 |
|---|---|
| Molecular Weight | 178.00 g/mol |
| LogP | 0.7568 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 178.00328 |
| Heavy Atoms | 11 |
| Complexity | 196.75896 |
Chemical Identifiers
| CAS Number | 110592-57-9 |
|---|---|
| SMILES | CCOC(=O)/C(=C/C(=O)O)/Cl |
Product Overview
2-Butenedioic acid, 2-chloro-, 1-ethyl ester (CAS 110592-57-9), with molecular formula C6H7ClO4 and molecular weight 178.00 g/mol. IUPAC: (Z)-3-chloro-4-ethoxy-4-oxobut-2-enoic acid.
Chemical Property Profile of 2-Butenedioic acid, 2-chloro-, 1-ethyl ester
Property Insights of 2-Butenedioic acid, 2-chloro-, 1-ethyl ester
The XLogP value of 0.7568 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butenedioic acid, 2-chloro-, 1-ethyl ester. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Butenedioic acid, 2-chloro-, 1-ethyl ester. Following Lipinski's Rule of Five, 2-Butenedioic acid, 2-chloro-, 1-ethyl ester has 1 hydrogen bond donor(s) and 3 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-Butenedioic acid, 2-chloro-, 1-ethyl ester?
The CAS number of 2-Butenedioic acid, 2-chloro-, 1-ethyl ester is 110592-57-9.
What is the molecular formula of 2-Butenedioic acid, 2-chloro-, 1-ethyl ester?
The molecular formula of 2-Butenedioic acid, 2-chloro-, 1-ethyl ester is C6H7ClO4.
What is the molecular weight of 2-Butenedioic acid, 2-chloro-, 1-ethyl ester?
The molecular weight of 2-Butenedioic acid, 2-chloro-, 1-ethyl ester is 178.00 g/mol.
Where can I buy 2-Butenedioic acid, 2-chloro-, 1-ethyl ester?
You can request a quote for 2-Butenedioic acid, 2-chloro-, 1-ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butenedioic acid, 2-chloro-, 1-ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenedioic acid, 2-chloro-, 1-ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.