(4-Bromophenyl)(2-toluidino)acetonitrile
TL;DR: (4-Bromophenyl)(2-toluidino)acetonitrile (CAS 723248-53-1) is a chemical compound with molecular formula C15H13BrN2 and molecular weight 300.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromophenyl)-2-(2-methylanilino)acetonitrile
Also Known As: (4-bromophenyl)(2-toluidino)acetonitrile, 2-(4-bromophenyl)-2-(2-methylanilino)acetonitrile, AJ-292/42152698
| Molecular Formula | C15H13BrN2 |
|---|---|
| Molecular Weight | 300.03 g/mol |
| LogP | 4.4343 |
| Topological Polar Surface Area | 35.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.0262 |
| Heavy Atoms | 18 |
| Complexity | 569.7926 |
Chemical Identifiers
| CAS Number | 723248-53-1 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(C#N)C2=CC=C(C=C2)Br |
Product Overview
(4-Bromophenyl)(2-toluidino)acetonitrile (CAS 723248-53-1), with molecular formula C15H13BrN2 and molecular weight 300.03 g/mol. IUPAC: 2-(4-bromophenyl)-2-(2-methylanilino)acetonitrile.
Chemical Property Profile of (4-Bromophenyl)(2-toluidino)acetonitrile
Property Insights of (4-Bromophenyl)(2-toluidino)acetonitrile
The XLogP value of 4.4343 indicates that (4-Bromophenyl)(2-toluidino)acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.82 Ų, (4-Bromophenyl)(2-toluidino)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Bromophenyl)(2-toluidino)acetonitrile has 1 hydrogen bond donor(s) and 2 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 (4-Bromophenyl)(2-toluidino)acetonitrile?
The CAS number of (4-Bromophenyl)(2-toluidino)acetonitrile is 723248-53-1.
What is the molecular formula of (4-Bromophenyl)(2-toluidino)acetonitrile?
The molecular formula of (4-Bromophenyl)(2-toluidino)acetonitrile is C15H13BrN2.
What is the molecular weight of (4-Bromophenyl)(2-toluidino)acetonitrile?
The molecular weight of (4-Bromophenyl)(2-toluidino)acetonitrile is 300.03 g/mol.
Where can I buy (4-Bromophenyl)(2-toluidino)acetonitrile?
You can request a quote for (4-Bromophenyl)(2-toluidino)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Bromophenyl)(2-toluidino)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for (4-Bromophenyl)(2-toluidino)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.