(Z)-2-Chloro-3-(chloromethyl)-4-oxobutenoic acid
TL;DR: (Z)-2-Chloro-3-(chloromethyl)-4-oxobutenoic acid (CAS 215226-70-3) is a chemical compound with molecular formula C5H4Cl2O3 and molecular weight 181.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-2-chloro-3-(chloromethyl)-4-oxobut-2-enoic acid
Also Known As: (Z)-2-Chloro-3-(chloromethyl)-4-oxobutenoic acid, (2Z)-2,4-dichloro-3-formylbut-2-enoic acid, 2-Butenoic acid, 2-chloro-3-(chloromethyl)-4-oxo-, (2Z)-, (Z)-2-Chloro-3-(chloromethyl)-4-oxo-2-butenoic acid, (Z)-2-chloro-3-(chloromethyl)-4-oxobut-2-enoic acid
| Molecular Formula | C5H4Cl2O3 |
|---|---|
| Molecular Weight | 181.95 g/mol |
| LogP | 1.0016 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 181.95375 |
| Heavy Atoms | 10 |
| Complexity | 185.33209 |
Chemical Identifiers
| CAS Number | 215226-70-3 |
|---|---|
| SMILES | C(/C(=C(/C(=O)O)\Cl)/C=O)Cl |
Product Overview
(Z)-2-Chloro-3-(chloromethyl)-4-oxobutenoic acid (CAS 215226-70-3), with molecular formula C5H4Cl2O3 and molecular weight 181.95 g/mol. IUPAC: (Z)-2-chloro-3-(chloromethyl)-4-oxobut-2-enoic acid.
Chemical Property Profile of (Z)-2-Chloro-3-(chloromethyl)-4-oxobutenoic acid
Property Insights of (Z)-2-Chloro-3-(chloromethyl)-4-oxobutenoic acid
The XLogP value of 1.0016 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-2-Chloro-3-(chloromethyl)-4-oxobutenoic acid. With a topological polar surface area (TPSA) of 54.37 Ų, (Z)-2-Chloro-3-(chloromethyl)-4-oxobutenoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-2-Chloro-3-(chloromethyl)-4-oxobutenoic acid has 1 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 (Z)-2-Chloro-3-(chloromethyl)-4-oxobutenoic acid?
The CAS number of (Z)-2-Chloro-3-(chloromethyl)-4-oxobutenoic acid is 215226-70-3.
What is the molecular formula of (Z)-2-Chloro-3-(chloromethyl)-4-oxobutenoic acid?
The molecular formula of (Z)-2-Chloro-3-(chloromethyl)-4-oxobutenoic acid is C5H4Cl2O3.
What is the molecular weight of (Z)-2-Chloro-3-(chloromethyl)-4-oxobutenoic acid?
The molecular weight of (Z)-2-Chloro-3-(chloromethyl)-4-oxobutenoic acid is 181.95 g/mol.
Where can I buy (Z)-2-Chloro-3-(chloromethyl)-4-oxobutenoic acid?
You can request a quote for (Z)-2-Chloro-3-(chloromethyl)-4-oxobutenoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-2-Chloro-3-(chloromethyl)-4-oxobutenoic acid?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-Chloro-3-(chloromethyl)-4-oxobutenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.