1,4-Dimethyl (2Z)-2-chloro-2-butenedioate
TL;DR: 1,4-Dimethyl (2Z)-2-chloro-2-butenedioate (CAS 19393-45-4) 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.
dimethyl (Z)-2-chlorobut-2-enedioate
Also Known As: Dimethyl chlorofumarate, Dimethyl 2-chlorofumarate, Dimethyl chlorobutenedioate, Maleate, chloro-, dimethyl, Chlorofumaric acid dimethyl ester
| Molecular Formula | C6H7ClO4 |
|---|---|
| Molecular Weight | 178.00 g/mol |
| LogP | 0.4551 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 178.00328 |
| Heavy Atoms | 11 |
| Complexity | 196.75896 |
Chemical Identifiers
| CAS Number | 19393-45-4 |
|---|---|
| SMILES | COC(=O)/C=C(/C(=O)OC)\Cl |
Product Overview
1,4-Dimethyl (2Z)-2-chloro-2-butenedioate (CAS 19393-45-4), with molecular formula C6H7ClO4 and molecular weight 178.00 g/mol. IUPAC: dimethyl (Z)-2-chlorobut-2-enedioate.
Chemical Property Profile of 1,4-Dimethyl (2Z)-2-chloro-2-butenedioate
Property Insights of 1,4-Dimethyl (2Z)-2-chloro-2-butenedioate
The XLogP value of 0.4551 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Dimethyl (2Z)-2-chloro-2-butenedioate. With a topological polar surface area (TPSA) of 52.6 Ų, 1,4-Dimethyl (2Z)-2-chloro-2-butenedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Dimethyl (2Z)-2-chloro-2-butenedioate 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 1,4-Dimethyl (2Z)-2-chloro-2-butenedioate?
The CAS number of 1,4-Dimethyl (2Z)-2-chloro-2-butenedioate is 19393-45-4.
What is the molecular formula of 1,4-Dimethyl (2Z)-2-chloro-2-butenedioate?
The molecular formula of 1,4-Dimethyl (2Z)-2-chloro-2-butenedioate is C6H7ClO4.
What is the molecular weight of 1,4-Dimethyl (2Z)-2-chloro-2-butenedioate?
The molecular weight of 1,4-Dimethyl (2Z)-2-chloro-2-butenedioate is 178.00 g/mol.
Where can I buy 1,4-Dimethyl (2Z)-2-chloro-2-butenedioate?
You can request a quote for 1,4-Dimethyl (2Z)-2-chloro-2-butenedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Dimethyl (2Z)-2-chloro-2-butenedioate?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dimethyl (2Z)-2-chloro-2-butenedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.