4-Cyanobenzylzinc bromide
TL;DR: 4-Cyanobenzylzinc bromide (CAS 135579-87-2) is a chemical compound with molecular formula C8H6BrNZn and molecular weight 258.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bromozinc(1+);4-methanidylbenzonitrile
Also Known As: 4-CYANOBENZYLZINC BROMIDE, p-cyanobenzyl zinc bromide, 4-Cyanobenzylzinc bromide solution, 4-CYANOBENZYLZINCBROMIDE, bromozinc(1+);4-methanidylbenzonitrile
| Molecular Formula | C8H6BrNZn |
|---|---|
| Molecular Weight | 258.90 g/mol |
| LogP | 2.58357 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 258.8975 |
| Heavy Atoms | 11 |
| Complexity | 237.26413 |
Chemical Identifiers
| CAS Number | 135579-87-2 |
|---|---|
| SMILES | [CH2-]C1=CC=C(C=C1)C#N.[Zn+]Br |
Product Overview
4-Cyanobenzylzinc bromide (CAS 135579-87-2), with molecular formula C8H6BrNZn and molecular weight 258.90 g/mol. IUPAC: bromozinc(1+);4-methanidylbenzonitrile.
Chemical Property Profile of 4-Cyanobenzylzinc bromide
Property Insights of 4-Cyanobenzylzinc bromide
The XLogP value of 2.58357 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Cyanobenzylzinc bromide. With a topological polar surface area (TPSA) of 23.79 Ų, 4-Cyanobenzylzinc bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Cyanobenzylzinc bromide has 0 hydrogen bond donor(s) and 1 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-Cyanobenzylzinc bromide?
The CAS number of 4-Cyanobenzylzinc bromide is 135579-87-2.
What is the molecular formula of 4-Cyanobenzylzinc bromide?
The molecular formula of 4-Cyanobenzylzinc bromide is C8H6BrNZn.
What is the molecular weight of 4-Cyanobenzylzinc bromide?
The molecular weight of 4-Cyanobenzylzinc bromide is 258.90 g/mol.
Where can I buy 4-Cyanobenzylzinc bromide?
You can request a quote for 4-Cyanobenzylzinc bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Cyanobenzylzinc bromide?
Yes, KEHONG BIO provides custom synthesis services for 4-Cyanobenzylzinc bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.