Selenocyanic acid, 3-nitrophenyl ester
TL;DR: Selenocyanic acid, 3-nitrophenyl ester (CAS 51694-18-9) is a chemical compound with molecular formula C7H4N2O2Se and molecular weight 227.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-nitrophenyl) selenocyanate
Also Known As: (3-nitrophenyl) selenocyanate, 3-Nitrophenyl selenocyanate, 3-nitro phenyl selenocyanate, Nitrobenzene, 2-selenocyano-, 3-Nitrophenyl selenocyanate #
| Molecular Formula | C7H4N2O2Se |
|---|---|
| Molecular Weight | 227.94 g/mol |
| LogP | 0.40538 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 227.9438 |
| Heavy Atoms | 12 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 51694-18-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[Se]C#N)[N+](=O)[O-] |
| InChIKey | KLJCFJRKOOACIP-UHFFFAOYSA-N |
Product Overview
Selenocyanic acid, 3-nitrophenyl ester (CAS 51694-18-9), with molecular formula C7H4N2O2Se and molecular weight 227.94 g/mol. IUPAC: (3-nitrophenyl) selenocyanate.
Chemical Property Profile of Selenocyanic acid, 3-nitrophenyl ester
Property Insights of Selenocyanic acid, 3-nitrophenyl ester
The XLogP value of 0.40538 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Selenocyanic acid, 3-nitrophenyl ester. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Selenocyanic acid, 3-nitrophenyl ester. Following Lipinski's Rule of Five, Selenocyanic acid, 3-nitrophenyl ester has 0 hydrogen bond donor(s) and 3 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 Selenocyanic acid, 3-nitrophenyl ester?
The CAS number of Selenocyanic acid, 3-nitrophenyl ester is 51694-18-9.
What is the molecular formula of Selenocyanic acid, 3-nitrophenyl ester?
The molecular formula of Selenocyanic acid, 3-nitrophenyl ester is C7H4N2O2Se.
What is the molecular weight of Selenocyanic acid, 3-nitrophenyl ester?
The molecular weight of Selenocyanic acid, 3-nitrophenyl ester is 227.94 g/mol.
Where can I buy Selenocyanic acid, 3-nitrophenyl ester?
You can request a quote for Selenocyanic acid, 3-nitrophenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Selenocyanic acid, 3-nitrophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Selenocyanic acid, 3-nitrophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.