2-(4-Bromoanilino)-2-phenylacetonitrile
TL;DR: 2-(4-Bromoanilino)-2-phenylacetonitrile (CAS 7510-78-3) is a chemical compound with molecular formula C14H11BrN2 and molecular weight 286.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromoanilino)-2-phenylacetonitrile
Also Known As: 2-(4-bromoanilino)-2-phenylacetonitrile, Phenyl(4-bromoanilino)acetonitrile, (4-Bromoanilino)(phenyl)acetonitrile, Phenyl(4-bromophenylamino)acetonitrile, J1.779.950I
| Molecular Formula | C14H11BrN2 |
|---|---|
| Molecular Weight | 286.01 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 35.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 286.01056 |
| Heavy Atoms | 17 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 7510-78-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C#N)NC2=CC=C(C=C2)Br |
| InChIKey | SVPCPLZZQODKMJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-Bromoanilino)-2-phenylacetonitrile (CAS 7510-78-3), with molecular formula C14H11BrN2 and molecular weight 286.01 g/mol. IUPAC: 2-(4-bromoanilino)-2-phenylacetonitrile.
Chemical Property Profile of 2-(4-Bromoanilino)-2-phenylacetonitrile
Property Insights of 2-(4-Bromoanilino)-2-phenylacetonitrile
The XLogP value of 4.1 indicates that 2-(4-Bromoanilino)-2-phenylacetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.8 Ų, 2-(4-Bromoanilino)-2-phenylacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Bromoanilino)-2-phenylacetonitrile 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 2-(4-Bromoanilino)-2-phenylacetonitrile?
The CAS number of 2-(4-Bromoanilino)-2-phenylacetonitrile is 7510-78-3.
What is the molecular formula of 2-(4-Bromoanilino)-2-phenylacetonitrile?
The molecular formula of 2-(4-Bromoanilino)-2-phenylacetonitrile is C14H11BrN2.
What is the molecular weight of 2-(4-Bromoanilino)-2-phenylacetonitrile?
The molecular weight of 2-(4-Bromoanilino)-2-phenylacetonitrile is 286.01 g/mol.
Where can I buy 2-(4-Bromoanilino)-2-phenylacetonitrile?
You can request a quote for 2-(4-Bromoanilino)-2-phenylacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Bromoanilino)-2-phenylacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Bromoanilino)-2-phenylacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.