![[2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] butanoate structure](/static/products/7224/722486-42-2.webp)
[2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] butanoate
TL;DR: [2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] butanoate (CAS 722486-42-2) is a chemical compound with molecular formula C13H16ClNO3 and molecular weight 269.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] butanoate
Also Known As: [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] butanoate|(4-chlorophenyl)methylcarbamoylmethyl Butanoate|2-{[(4-Chlorophenyl)methyl]amino}-2-oxoethyl butanoate|MLS001006142|SMR000349206
| Molecular Formula | C13H16ClNO3 |
|---|---|
| Molecular Weight | 269.08 g/mol |
| LogP | 2.2995 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 269.08188 |
| Heavy Atoms | 18 |
| Complexity | 403.2023 |
Chemical Identifiers
| CAS Number | 722486-42-2 |
|---|---|
| SMILES | CCCC(=O)OCC(=O)NCC1=CC=C(C=C1)Cl |
Product Overview
[2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] butanoate (CAS 722486-42-2), with molecular formula C13H16ClNO3 and molecular weight 269.08 g/mol. IUPAC: [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] butanoate.
Chemical Property Profile of [2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] butanoate
Property Insights of [2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] butanoate
The XLogP value of 2.2995 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] butanoate. With a topological polar surface area (TPSA) of 55.4 Ų, [2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] butanoate 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-[(4-Chlorophenyl)methylamino]-2-oxoethyl] butanoate?
The CAS number of [2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] butanoate is 722486-42-2.
What is the molecular formula of [2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] butanoate?
The molecular formula of [2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] butanoate is C13H16ClNO3.
What is the molecular weight of [2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] butanoate?
The molecular weight of [2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] butanoate is 269.08 g/mol.
Where can I buy [2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] butanoate?
You can request a quote for [2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] butanoate?
Yes, KEHONG BIO provides custom synthesis services for [2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.