Methyl 2-(((2-acetamido-5-bromophenyl)(2-chlorophenyl)methyl)amino)acetate
TL;DR: Methyl 2-(((2-acetamido-5-bromophenyl)(2-chlorophenyl)methyl)amino)acetate (CAS 313502-75-9) is a chemical compound with molecular formula C18H18BrClN2O3 and molecular weight 424.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[(2-acetamido-5-bromophenyl)-(2-chlorophenyl)methyl]amino]acetate
Also Known As: BAS 00462508, AB00091612-01, methyl 2-(((2-acetamido-5-bromophenyl)(2-chlorophenyl)methyl)amino)acetate, methyl N-{[2-(acetylamino)-5-bromophenyl](2-chlorophenyl)methyl}glycinate, methyl 2-[[(2-acetamido-5-bromophenyl)-(2-chlorophenyl)methyl]amino]acetate
| Molecular Formula | C18H18BrClN2O3 |
|---|---|
| Molecular Weight | 424.02 g/mol |
| LogP | 3.9129 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 424.01892 |
| Heavy Atoms | 25 |
| Complexity | 782.66656 |
Chemical Identifiers
| CAS Number | 313502-75-9 |
|---|---|
| SMILES | CC(=O)NC1=C(C=C(C=C1)Br)C(C2=CC=CC=C2Cl)NCC(=O)OC |
Product Overview
Methyl 2-(((2-acetamido-5-bromophenyl)(2-chlorophenyl)methyl)amino)acetate (CAS 313502-75-9), with molecular formula C18H18BrClN2O3 and molecular weight 424.02 g/mol. IUPAC: methyl 2-[[(2-acetamido-5-bromophenyl)-(2-chlorophenyl)methyl]amino]acetate.
Chemical Property Profile of Methyl 2-(((2-acetamido-5-bromophenyl)(2-chlorophenyl)methyl)amino)acetate
Property Insights of Methyl 2-(((2-acetamido-5-bromophenyl)(2-chlorophenyl)methyl)amino)acetate
The XLogP value of 3.9129 indicates that Methyl 2-(((2-acetamido-5-bromophenyl)(2-chlorophenyl)methyl)amino)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(((2-acetamido-5-bromophenyl)(2-chlorophenyl)methyl)amino)acetate. Following Lipinski's Rule of Five, Methyl 2-(((2-acetamido-5-bromophenyl)(2-chlorophenyl)methyl)amino)acetate has 2 hydrogen bond donor(s) and 4 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 2-(((2-acetamido-5-bromophenyl)(2-chlorophenyl)methyl)amino)acetate?
The CAS number of Methyl 2-(((2-acetamido-5-bromophenyl)(2-chlorophenyl)methyl)amino)acetate is 313502-75-9.
What is the molecular formula of Methyl 2-(((2-acetamido-5-bromophenyl)(2-chlorophenyl)methyl)amino)acetate?
The molecular formula of Methyl 2-(((2-acetamido-5-bromophenyl)(2-chlorophenyl)methyl)amino)acetate is C18H18BrClN2O3.
What is the molecular weight of Methyl 2-(((2-acetamido-5-bromophenyl)(2-chlorophenyl)methyl)amino)acetate?
The molecular weight of Methyl 2-(((2-acetamido-5-bromophenyl)(2-chlorophenyl)methyl)amino)acetate is 424.02 g/mol.
Where can I buy Methyl 2-(((2-acetamido-5-bromophenyl)(2-chlorophenyl)methyl)amino)acetate?
You can request a quote for Methyl 2-(((2-acetamido-5-bromophenyl)(2-chlorophenyl)methyl)amino)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(((2-acetamido-5-bromophenyl)(2-chlorophenyl)methyl)amino)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(((2-acetamido-5-bromophenyl)(2-chlorophenyl)methyl)amino)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.