Benzonitrile, 4-(phenylseleno)-
TL;DR: Benzonitrile, 4-(phenylseleno)- (CAS 94800-52-9) is a chemical compound with molecular formula C13H9NSe and molecular weight 258.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenylselanylbenzonitrile
Also Known As: Benzonitrile, 4-(phenylseleno)-, 4-(phenylselanyl)benzonitrile, 4-phenylselanylbenzonitrile, 4-Cyanophenylphenyl selenide, 4-(Phenylseleno)benzonitrile
| Molecular Formula | C13H9NSe |
|---|---|
| Molecular Weight | 258.99 g/mol |
| LogP | 1.21328 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.99002 |
| Heavy Atoms | 15 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 94800-52-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)[Se]C2=CC=C(C=C2)C#N |
| InChIKey | VQJWOTBDCIYKDF-UHFFFAOYSA-N |
Product Overview
Benzonitrile, 4-(phenylseleno)- (CAS 94800-52-9), with molecular formula C13H9NSe and molecular weight 258.99 g/mol. IUPAC: 4-phenylselanylbenzonitrile.
Chemical Property Profile of Benzonitrile, 4-(phenylseleno)-
Property Insights of Benzonitrile, 4-(phenylseleno)-
The XLogP value of 1.21328 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzonitrile, 4-(phenylseleno)-. With a topological polar surface area (TPSA) of 23.8 Ų, Benzonitrile, 4-(phenylseleno)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzonitrile, 4-(phenylseleno)- 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 Benzonitrile, 4-(phenylseleno)-?
The CAS number of Benzonitrile, 4-(phenylseleno)- is 94800-52-9.
What is the molecular formula of Benzonitrile, 4-(phenylseleno)-?
The molecular formula of Benzonitrile, 4-(phenylseleno)- is C13H9NSe.
What is the molecular weight of Benzonitrile, 4-(phenylseleno)-?
The molecular weight of Benzonitrile, 4-(phenylseleno)- is 258.99 g/mol.
Where can I buy Benzonitrile, 4-(phenylseleno)-?
You can request a quote for Benzonitrile, 4-(phenylseleno)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzonitrile, 4-(phenylseleno)-?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 4-(phenylseleno)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.