Methyl 4-((2,2,2-trichloro-1-((3,4-dimethoxybenzoyl)amino)ethyl)amino)benzoate
TL;DR: Methyl 4-((2,2,2-trichloro-1-((3,4-dimethoxybenzoyl)amino)ethyl)amino)benzoate (CAS 303061-66-7) is a chemical compound with molecular formula C19H19Cl3N2O5 and molecular weight 460.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2,2,2-trichloro-1-[(3,4-dimethoxybenzoyl)amino]ethyl]amino]benzoate
Also Known As: BIM-0046791.P001, METHYL 4-((2,2,2-TRICHLORO-1-((3,4-DIMETHOXYBENZOYL)AMINO)ETHYL)AMINO)BENZOATE, methyl 4-({2,2,2-trichloro-1-[(3,4-dimethoxybenzoyl)amino]ethyl}amino)benzoate, methyl 4-[[2,2,2-trichloro-1-[(3,4-dimethoxybenzoyl)amino]ethyl]amino]benzoate, 661-850-1
| Molecular Formula | C19H19Cl3N2O5 |
|---|---|
| Molecular Weight | 460.04 g/mol |
| LogP | 4.0286 |
| Topological Polar Surface Area | 85.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 460.03595 |
| Heavy Atoms | 29 |
| Complexity | 869.1386 |
Chemical Identifiers
| CAS Number | 303061-66-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)NC(C(Cl)(Cl)Cl)NC2=CC=C(C=C2)C(=O)OC)OC |
Product Overview
Methyl 4-((2,2,2-trichloro-1-((3,4-dimethoxybenzoyl)amino)ethyl)amino)benzoate (CAS 303061-66-7), with molecular formula C19H19Cl3N2O5 and molecular weight 460.04 g/mol. IUPAC: methyl 4-[[2,2,2-trichloro-1-[(3,4-dimethoxybenzoyl)amino]ethyl]amino]benzoate.
Chemical Property Profile of Methyl 4-((2,2,2-trichloro-1-((3,4-dimethoxybenzoyl)amino)ethyl)amino)benzoate
Property Insights of Methyl 4-((2,2,2-trichloro-1-((3,4-dimethoxybenzoyl)amino)ethyl)amino)benzoate
The XLogP value of 4.0286 indicates that Methyl 4-((2,2,2-trichloro-1-((3,4-dimethoxybenzoyl)amino)ethyl)amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.89 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-((2,2,2-trichloro-1-((3,4-dimethoxybenzoyl)amino)ethyl)amino)benzoate. Following Lipinski's Rule of Five, Methyl 4-((2,2,2-trichloro-1-((3,4-dimethoxybenzoyl)amino)ethyl)amino)benzoate has 2 hydrogen bond donor(s) and 6 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 Methyl 4-((2,2,2-trichloro-1-((3,4-dimethoxybenzoyl)amino)ethyl)amino)benzoate?
The CAS number of Methyl 4-((2,2,2-trichloro-1-((3,4-dimethoxybenzoyl)amino)ethyl)amino)benzoate is 303061-66-7.
What is the molecular formula of Methyl 4-((2,2,2-trichloro-1-((3,4-dimethoxybenzoyl)amino)ethyl)amino)benzoate?
The molecular formula of Methyl 4-((2,2,2-trichloro-1-((3,4-dimethoxybenzoyl)amino)ethyl)amino)benzoate is C19H19Cl3N2O5.
What is the molecular weight of Methyl 4-((2,2,2-trichloro-1-((3,4-dimethoxybenzoyl)amino)ethyl)amino)benzoate?
The molecular weight of Methyl 4-((2,2,2-trichloro-1-((3,4-dimethoxybenzoyl)amino)ethyl)amino)benzoate is 460.04 g/mol.
Where can I buy Methyl 4-((2,2,2-trichloro-1-((3,4-dimethoxybenzoyl)amino)ethyl)amino)benzoate?
You can request a quote for Methyl 4-((2,2,2-trichloro-1-((3,4-dimethoxybenzoyl)amino)ethyl)amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-((2,2,2-trichloro-1-((3,4-dimethoxybenzoyl)amino)ethyl)amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-((2,2,2-trichloro-1-((3,4-dimethoxybenzoyl)amino)ethyl)amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.