methyl]malonate structure](/static/products/945/94544-03-3.png)
Diethyl [[(4-bromophenyl)amino](phenyl)methyl]malonate
TL;DR: Diethyl [[(4-bromophenyl)amino](phenyl)methyl]malonate (CAS 94544-03-3) is a chemical compound with molecular formula C20H22BrNO4 and molecular weight 419.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[(4-bromoanilino)-phenylmethyl]propanedioate
Also Known As: diethyl [[(4-bromophenyl)amino](phenyl)methyl]malonate, diethyl 2-[(4-bromoanilino)(phenyl)methyl]malonate, diethyl 2-[(4-bromoanilino)-phenylmethyl]propanedioate, AE-848/42024308, diethyl 2-(((4-bromophenyl)amino)(phenyl)methyl)malonate
| Molecular Formula | C20H22BrNO4 |
|---|---|
| Molecular Weight | 419.07 g/mol |
| LogP | 4.3447 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 419.0732 |
| Heavy Atoms | 26 |
| Complexity | 700.3508 |
Chemical Identifiers
| CAS Number | 94544-03-3 |
|---|---|
| SMILES | CCOC(=O)C(C(C1=CC=CC=C1)NC2=CC=C(C=C2)Br)C(=O)OCC |
Product Overview
Diethyl [[(4-bromophenyl)amino](phenyl)methyl]malonate (CAS 94544-03-3), with molecular formula C20H22BrNO4 and molecular weight 419.07 g/mol. IUPAC: diethyl 2-[(4-bromoanilino)-phenylmethyl]propanedioate.
Chemical Property Profile of Diethyl [[(4-bromophenyl)amino](phenyl)methyl]malonate
Property Insights of Diethyl [[(4-bromophenyl)amino](phenyl)methyl]malonate
The XLogP value of 4.3447 indicates that Diethyl [[(4-bromophenyl)amino](phenyl)methyl]malonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl [[(4-bromophenyl)amino](phenyl)methyl]malonate. Following Lipinski's Rule of Five, Diethyl [[(4-bromophenyl)amino](phenyl)methyl]malonate has 1 hydrogen bond donor(s) and 5 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 Diethyl [[(4-bromophenyl)amino](phenyl)methyl]malonate?
The CAS number of Diethyl [[(4-bromophenyl)amino](phenyl)methyl]malonate is 94544-03-3.
What is the molecular formula of Diethyl [[(4-bromophenyl)amino](phenyl)methyl]malonate?
The molecular formula of Diethyl [[(4-bromophenyl)amino](phenyl)methyl]malonate is C20H22BrNO4.
What is the molecular weight of Diethyl [[(4-bromophenyl)amino](phenyl)methyl]malonate?
The molecular weight of Diethyl [[(4-bromophenyl)amino](phenyl)methyl]malonate is 419.07 g/mol.
Where can I buy Diethyl [[(4-bromophenyl)amino](phenyl)methyl]malonate?
You can request a quote for Diethyl [[(4-bromophenyl)amino](phenyl)methyl]malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl [[(4-bromophenyl)amino](phenyl)methyl]malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl [[(4-bromophenyl)amino](phenyl)methyl]malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.