2-Chloro-1-(chloromethyl)ethyl 4-(2,4-dichloroanilino)-4-oxobutanoate
TL;DR: 2-Chloro-1-(chloromethyl)ethyl 4-(2,4-dichloroanilino)-4-oxobutanoate (CAS 444908-16-1) is a chemical compound with molecular formula C13H13Cl4NO3 and molecular weight 370.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dichloropropan-2-yl 4-(2,4-dichloroanilino)-4-oxobutanoate
Also Known As: 2-chloro-1-(chloromethyl)ethyl 4-(2,4-dichloroanilino)-4-oxobutanoate, 1,3-dichloropropan-2-yl 4-(2,4-dichloroanilino)-4-oxobutanoate, 1,3-dichloropropan-2-yl 4-((2,4-dichlorophenyl)amino)-4-oxobutanoate, 2-chloro-1-(chloromethyl)ethyl 3-[N-(2,4-dichlorophenyl)carbamoyl]propanoate
| Molecular Formula | C13H13Cl4NO3 |
|---|---|
| Molecular Weight | 370.96 g/mol |
| LogP | 4.1015 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 370.96497 |
| Heavy Atoms | 21 |
| Complexity | 506.1898 |
Chemical Identifiers
| CAS Number | 444908-16-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)Cl)NC(=O)CCC(=O)OC(CCl)CCl |
Product Overview
2-Chloro-1-(chloromethyl)ethyl 4-(2,4-dichloroanilino)-4-oxobutanoate (CAS 444908-16-1), with molecular formula C13H13Cl4NO3 and molecular weight 370.96 g/mol. IUPAC: 1,3-dichloropropan-2-yl 4-(2,4-dichloroanilino)-4-oxobutanoate.
Chemical Property Profile of 2-Chloro-1-(chloromethyl)ethyl 4-(2,4-dichloroanilino)-4-oxobutanoate
Property Insights of 2-Chloro-1-(chloromethyl)ethyl 4-(2,4-dichloroanilino)-4-oxobutanoate
The XLogP value of 4.1015 indicates that 2-Chloro-1-(chloromethyl)ethyl 4-(2,4-dichloroanilino)-4-oxobutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, 2-Chloro-1-(chloromethyl)ethyl 4-(2,4-dichloroanilino)-4-oxobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-1-(chloromethyl)ethyl 4-(2,4-dichloroanilino)-4-oxobutanoate 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-Chloro-1-(chloromethyl)ethyl 4-(2,4-dichloroanilino)-4-oxobutanoate?
The CAS number of 2-Chloro-1-(chloromethyl)ethyl 4-(2,4-dichloroanilino)-4-oxobutanoate is 444908-16-1.
What is the molecular formula of 2-Chloro-1-(chloromethyl)ethyl 4-(2,4-dichloroanilino)-4-oxobutanoate?
The molecular formula of 2-Chloro-1-(chloromethyl)ethyl 4-(2,4-dichloroanilino)-4-oxobutanoate is C13H13Cl4NO3.
What is the molecular weight of 2-Chloro-1-(chloromethyl)ethyl 4-(2,4-dichloroanilino)-4-oxobutanoate?
The molecular weight of 2-Chloro-1-(chloromethyl)ethyl 4-(2,4-dichloroanilino)-4-oxobutanoate is 370.96 g/mol.
Where can I buy 2-Chloro-1-(chloromethyl)ethyl 4-(2,4-dichloroanilino)-4-oxobutanoate?
You can request a quote for 2-Chloro-1-(chloromethyl)ethyl 4-(2,4-dichloroanilino)-4-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-1-(chloromethyl)ethyl 4-(2,4-dichloroanilino)-4-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-1-(chloromethyl)ethyl 4-(2,4-dichloroanilino)-4-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.