2-(4-Bromophenyl)-2-(2-methoxyanilino)acetonitrile
TL;DR: 2-(4-Bromophenyl)-2-(2-methoxyanilino)acetonitrile (CAS 573935-39-4) is a chemical compound with molecular formula C15H13BrN2O and molecular weight 316.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromophenyl)-2-(2-methoxyanilino)acetonitrile
Also Known As: 2-(4-bromophenyl)-2-(2-methoxyanilino)acetonitrile, (4-Bromophenyl)(2-methoxyanilino)acetonitrile, (4-bromophenyl)[(2-methoxyphenyl)amino]acetonitrile, (4-Bromo-phenyl)-(2-methoxy-phenylamino)-acetonitrile, 2-(4-bromophenyl)-2-((2-methoxyphenyl)amino)acetonitrile
| Molecular Formula | C15H13BrN2O |
|---|---|
| Molecular Weight | 316.02 g/mol |
| LogP | 4.13448 |
| Topological Polar Surface Area | 45.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 316.02112 |
| Heavy Atoms | 19 |
| Complexity | 589.8397 |
Chemical Identifiers
| CAS Number | 573935-39-4 |
|---|---|
| SMILES | COC1=CC=CC=C1NC(C#N)C2=CC=C(C=C2)Br |
Product Overview
2-(4-Bromophenyl)-2-(2-methoxyanilino)acetonitrile (CAS 573935-39-4), with molecular formula C15H13BrN2O and molecular weight 316.02 g/mol. IUPAC: 2-(4-bromophenyl)-2-(2-methoxyanilino)acetonitrile.
Chemical Property Profile of 2-(4-Bromophenyl)-2-(2-methoxyanilino)acetonitrile
Property Insights of 2-(4-Bromophenyl)-2-(2-methoxyanilino)acetonitrile
The XLogP value of 4.13448 indicates that 2-(4-Bromophenyl)-2-(2-methoxyanilino)acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.05 Ų, 2-(4-Bromophenyl)-2-(2-methoxyanilino)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Bromophenyl)-2-(2-methoxyanilino)acetonitrile 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-Bromophenyl)-2-(2-methoxyanilino)acetonitrile?
The CAS number of 2-(4-Bromophenyl)-2-(2-methoxyanilino)acetonitrile is 573935-39-4.
What is the molecular formula of 2-(4-Bromophenyl)-2-(2-methoxyanilino)acetonitrile?
The molecular formula of 2-(4-Bromophenyl)-2-(2-methoxyanilino)acetonitrile is C15H13BrN2O.
What is the molecular weight of 2-(4-Bromophenyl)-2-(2-methoxyanilino)acetonitrile?
The molecular weight of 2-(4-Bromophenyl)-2-(2-methoxyanilino)acetonitrile is 316.02 g/mol.
Where can I buy 2-(4-Bromophenyl)-2-(2-methoxyanilino)acetonitrile?
You can request a quote for 2-(4-Bromophenyl)-2-(2-methoxyanilino)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Bromophenyl)-2-(2-methoxyanilino)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Bromophenyl)-2-(2-methoxyanilino)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.