(E)-2-Chloro-3-(dichloromethyl)-butenedioic acid
TL;DR: (E)-2-Chloro-3-(dichloromethyl)-butenedioic acid (CAS 126572-80-3) is a chemical compound with molecular formula C5H3Cl3O4 and molecular weight 231.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-chloro-3-(dichloromethyl)but-2-enedioic acid
Also Known As: ox-MX, (E)-2-Chloro-3-(dichloromethyl)-2-butenedioic acid, (E)-2-chloro-3-(dichloromethyl)but-2-enedioic acid, (E)-2-Chloro-3-(dichloromethyl)butenedioic acid, (E)-2-chloro-3-(dichloromethyl)-butenedioic acid
| Molecular Formula | C5H3Cl3O4 |
|---|---|
| Molecular Weight | 231.91 g/mol |
| LogP | 1.4522 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 231.9097 |
| Heavy Atoms | 12 |
| Complexity | 245.07788 |
Chemical Identifiers
| CAS Number | 126572-80-3 |
|---|---|
| SMILES | C(/C(=C(\C(=O)O)/Cl)/C(=O)O)(Cl)Cl |
Product Overview
(E)-2-Chloro-3-(dichloromethyl)-butenedioic acid (CAS 126572-80-3), with molecular formula C5H3Cl3O4 and molecular weight 231.91 g/mol. IUPAC: (E)-2-chloro-3-(dichloromethyl)but-2-enedioic acid.
Chemical Property Profile of (E)-2-Chloro-3-(dichloromethyl)-butenedioic acid
Property Insights of (E)-2-Chloro-3-(dichloromethyl)-butenedioic acid
The XLogP value of 1.4522 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-Chloro-3-(dichloromethyl)-butenedioic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-Chloro-3-(dichloromethyl)-butenedioic acid. Following Lipinski's Rule of Five, (E)-2-Chloro-3-(dichloromethyl)-butenedioic acid has 2 hydrogen bond donor(s) and 2 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 (E)-2-Chloro-3-(dichloromethyl)-butenedioic acid?
The CAS number of (E)-2-Chloro-3-(dichloromethyl)-butenedioic acid is 126572-80-3.
What is the molecular formula of (E)-2-Chloro-3-(dichloromethyl)-butenedioic acid?
The molecular formula of (E)-2-Chloro-3-(dichloromethyl)-butenedioic acid is C5H3Cl3O4.
What is the molecular weight of (E)-2-Chloro-3-(dichloromethyl)-butenedioic acid?
The molecular weight of (E)-2-Chloro-3-(dichloromethyl)-butenedioic acid is 231.91 g/mol.
Where can I buy (E)-2-Chloro-3-(dichloromethyl)-butenedioic acid?
You can request a quote for (E)-2-Chloro-3-(dichloromethyl)-butenedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-Chloro-3-(dichloromethyl)-butenedioic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-Chloro-3-(dichloromethyl)-butenedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.