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Ethyl 2-benzyl-3-[(4-chlorobenzyl)amino]-3-oxopropanoate
TL;DR: Ethyl 2-benzyl-3-[(4-chlorobenzyl)amino]-3-oxopropanoate (CAS 423739-69-9) is a chemical compound with molecular formula C19H20ClNO3 and molecular weight 345.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-benzyl-3-[(4-chlorophenyl)methylamino]-3-oxopropanoate
Also Known As: ethyl 2-benzyl-3-[(4-chlorobenzyl)amino]-3-oxopropanoate, ETHYL 2-BENZYL-2-{[(4-CHLOROPHENYL)METHYL]CARBAMOYL}ACETATE, ethyl 2-benzyl-3-((4-chlorobenzyl)amino)-3-oxopropanoate, ethyl 2-benzyl-3-[(4-chlorophenyl)methylamino]-3-oxopropanoate
| Molecular Formula | C19H20ClNO3 |
|---|---|
| Molecular Weight | 345.11 g/mol |
| LogP | 3.3782 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 345.11316 |
| Heavy Atoms | 24 |
| Complexity | 670.77106 |
Chemical Identifiers
| CAS Number | 423739-69-9 |
|---|---|
| SMILES | CCOC(=O)C(CC1=CC=CC=C1)C(=O)NCC2=CC=C(C=C2)Cl |
Product Overview
Ethyl 2-benzyl-3-[(4-chlorobenzyl)amino]-3-oxopropanoate (CAS 423739-69-9), with molecular formula C19H20ClNO3 and molecular weight 345.11 g/mol. IUPAC: ethyl 2-benzyl-3-[(4-chlorophenyl)methylamino]-3-oxopropanoate.
Chemical Property Profile of Ethyl 2-benzyl-3-[(4-chlorobenzyl)amino]-3-oxopropanoate
Property Insights of Ethyl 2-benzyl-3-[(4-chlorobenzyl)amino]-3-oxopropanoate
The XLogP value of 3.3782 indicates that Ethyl 2-benzyl-3-[(4-chlorobenzyl)amino]-3-oxopropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl 2-benzyl-3-[(4-chlorobenzyl)amino]-3-oxopropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-benzyl-3-[(4-chlorobenzyl)amino]-3-oxopropanoate 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 Ethyl 2-benzyl-3-[(4-chlorobenzyl)amino]-3-oxopropanoate?
The CAS number of Ethyl 2-benzyl-3-[(4-chlorobenzyl)amino]-3-oxopropanoate is 423739-69-9.
What is the molecular formula of Ethyl 2-benzyl-3-[(4-chlorobenzyl)amino]-3-oxopropanoate?
The molecular formula of Ethyl 2-benzyl-3-[(4-chlorobenzyl)amino]-3-oxopropanoate is C19H20ClNO3.
What is the molecular weight of Ethyl 2-benzyl-3-[(4-chlorobenzyl)amino]-3-oxopropanoate?
The molecular weight of Ethyl 2-benzyl-3-[(4-chlorobenzyl)amino]-3-oxopropanoate is 345.11 g/mol.
Where can I buy Ethyl 2-benzyl-3-[(4-chlorobenzyl)amino]-3-oxopropanoate?
You can request a quote for Ethyl 2-benzyl-3-[(4-chlorobenzyl)amino]-3-oxopropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-benzyl-3-[(4-chlorobenzyl)amino]-3-oxopropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-benzyl-3-[(4-chlorobenzyl)amino]-3-oxopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.