![[2-[[4-(1,2,2-Tricyanoethenyl)anilino]methyl]phenyl]boronic acid structure](/static/products/327/327096-46-8.png)
[2-[[4-(1,2,2-Tricyanoethenyl)anilino]methyl]phenyl]boronic acid
TL;DR: [2-[[4-(1,2,2-Tricyanoethenyl)anilino]methyl]phenyl]boronic acid (CAS 327096-46-8) is a chemical compound with molecular formula C18H13BN4O2 and molecular weight 328.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[[4-(1,2,2-tricyanoethenyl)anilino]methyl]phenyl]boronic acid
Also Known As: J1.752.492E, 2-[[[4-(Tricyanovinyl)phenyl]amino]methyl]phenylboronic acid, [2-[[[4-(1,2,2-tricyanoethenyl)phenyl]amino]methyl]phenyl]boronic Acid, 2-[4-[[2-(Dihydroxyboryl)benzyl]amino]phenyl]ethene-1,1,2-tricarbonitrile, 2-[4-[2-(Dihydroxyboryl)benzylamino]phenyl]-1,1,2-ethenetricarbonitrile
| Molecular Formula | C18H13BN4O2 |
|---|---|
| Molecular Weight | 328.11 g/mol |
| LogP | 1.30284 |
| Topological Polar Surface Area | 123.86 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 328.11316 |
| Heavy Atoms | 25 |
| Complexity | 899.8179 |
Chemical Identifiers
| CAS Number | 327096-46-8 |
|---|---|
| SMILES | B(C1=CC=CC=C1CNC2=CC=C(C=C2)C(=C(C#N)C#N)C#N)(O)O |
Product Overview
[2-[[4-(1,2,2-Tricyanoethenyl)anilino]methyl]phenyl]boronic acid (CAS 327096-46-8), with molecular formula C18H13BN4O2 and molecular weight 328.11 g/mol. IUPAC: [2-[[4-(1,2,2-tricyanoethenyl)anilino]methyl]phenyl]boronic acid.
Chemical Property Profile of [2-[[4-(1,2,2-Tricyanoethenyl)anilino]methyl]phenyl]boronic acid
Property Insights of [2-[[4-(1,2,2-Tricyanoethenyl)anilino]methyl]phenyl]boronic acid
The XLogP value of 1.30284 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-[[4-(1,2,2-Tricyanoethenyl)anilino]methyl]phenyl]boronic acid. The TPSA of 123.86 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-[[4-(1,2,2-Tricyanoethenyl)anilino]methyl]phenyl]boronic acid. Following Lipinski's Rule of Five, [2-[[4-(1,2,2-Tricyanoethenyl)anilino]methyl]phenyl]boronic acid has 3 hydrogen bond donor(s) and 6 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-(1,2,2-Tricyanoethenyl)anilino]methyl]phenyl]boronic acid?
The CAS number of [2-[[4-(1,2,2-Tricyanoethenyl)anilino]methyl]phenyl]boronic acid is 327096-46-8.
What is the molecular formula of [2-[[4-(1,2,2-Tricyanoethenyl)anilino]methyl]phenyl]boronic acid?
The molecular formula of [2-[[4-(1,2,2-Tricyanoethenyl)anilino]methyl]phenyl]boronic acid is C18H13BN4O2.
What is the molecular weight of [2-[[4-(1,2,2-Tricyanoethenyl)anilino]methyl]phenyl]boronic acid?
The molecular weight of [2-[[4-(1,2,2-Tricyanoethenyl)anilino]methyl]phenyl]boronic acid is 328.11 g/mol.
Where can I buy [2-[[4-(1,2,2-Tricyanoethenyl)anilino]methyl]phenyl]boronic acid?
You can request a quote for [2-[[4-(1,2,2-Tricyanoethenyl)anilino]methyl]phenyl]boronic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-[[4-(1,2,2-Tricyanoethenyl)anilino]methyl]phenyl]boronic acid?
Yes, KEHONG BIO provides custom synthesis services for [2-[[4-(1,2,2-Tricyanoethenyl)anilino]methyl]phenyl]boronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.