![[2-[(3-Chlorophenyl)methylamino]-2-oxoethyl] 4-tert-butylbenzoate structure](/static/products/100/1002467-76-6.png)
[2-[(3-Chlorophenyl)methylamino]-2-oxoethyl] 4-tert-butylbenzoate
TL;DR: [2-[(3-Chlorophenyl)methylamino]-2-oxoethyl] 4-tert-butylbenzoate (CAS 1002467-76-6) is a chemical compound with molecular formula C20H22ClNO3 and molecular weight 359.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 4-tert-butylbenzoate
Also Known As: [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 4-tert-butylbenzoate|2-[(3-chlorobenzyl)amino]-2-oxoethyl 4-tert-butylbenzoate|{[(3-CHLOROPHENYL)METHYL]CARBAMOYL}METHYL 4-TERT-BUTYLBENZOATE|F6609-3588|2-((3-chlorobenzyl)amino)-2-oxoethyl 4-(tert-butyl)benzoate
| Molecular Formula | C20H22ClNO3 |
|---|---|
| Molecular Weight | 359.13 g/mol |
| LogP | 4.1107 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 359.1288 |
| Heavy Atoms | 25 |
| Complexity | 748.28174 |
Chemical Identifiers
| CAS Number | 1002467-76-6 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)OCC(=O)NCC2=CC(=CC=C2)Cl |
Product Overview
[2-[(3-Chlorophenyl)methylamino]-2-oxoethyl] 4-tert-butylbenzoate (CAS 1002467-76-6), with molecular formula C20H22ClNO3 and molecular weight 359.13 g/mol. IUPAC: [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 4-tert-butylbenzoate.
Chemical Property Profile of [2-[(3-Chlorophenyl)methylamino]-2-oxoethyl] 4-tert-butylbenzoate
Property Insights of [2-[(3-Chlorophenyl)methylamino]-2-oxoethyl] 4-tert-butylbenzoate
The XLogP value of 4.1107 indicates that [2-[(3-Chlorophenyl)methylamino]-2-oxoethyl] 4-tert-butylbenzoate 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-[(3-Chlorophenyl)methylamino]-2-oxoethyl] 4-tert-butylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [2-[(3-Chlorophenyl)methylamino]-2-oxoethyl] 4-tert-butylbenzoate 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-[(3-Chlorophenyl)methylamino]-2-oxoethyl] 4-tert-butylbenzoate?
The CAS number of [2-[(3-Chlorophenyl)methylamino]-2-oxoethyl] 4-tert-butylbenzoate is 1002467-76-6.
What is the molecular formula of [2-[(3-Chlorophenyl)methylamino]-2-oxoethyl] 4-tert-butylbenzoate?
The molecular formula of [2-[(3-Chlorophenyl)methylamino]-2-oxoethyl] 4-tert-butylbenzoate is C20H22ClNO3.
What is the molecular weight of [2-[(3-Chlorophenyl)methylamino]-2-oxoethyl] 4-tert-butylbenzoate?
The molecular weight of [2-[(3-Chlorophenyl)methylamino]-2-oxoethyl] 4-tert-butylbenzoate is 359.13 g/mol.
Where can I buy [2-[(3-Chlorophenyl)methylamino]-2-oxoethyl] 4-tert-butylbenzoate?
You can request a quote for [2-[(3-Chlorophenyl)methylamino]-2-oxoethyl] 4-tert-butylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-[(3-Chlorophenyl)methylamino]-2-oxoethyl] 4-tert-butylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for [2-[(3-Chlorophenyl)methylamino]-2-oxoethyl] 4-tert-butylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.