Benzonitrile, 2-amino-, sulfate (1:1)
TL;DR: Benzonitrile, 2-amino-, sulfate (1:1) (CAS 63589-19-5) is a chemical compound with molecular formula C7H8N2O4S and molecular weight 216.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-aminobenzonitrile;sulfuric acid
Also Known As: Benzonitrile, 2-amino-, sulfate (1:1), 2-aminobenzonitrile,sulfuric acid, 2-aminobenzonitrile; sulfuric acid, Sulfuric acid--2-aminobenzonitrile (1/1), RefChem:118516
| Molecular Formula | C7H8N2O4S |
|---|---|
| Molecular Weight | 216.02 g/mol |
| LogP | 0.49 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 216.02048 |
| Heavy Atoms | 14 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 63589-19-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C#N)N.OS(=O)(=O)O |
| InChIKey | USGHUYZYQZRHIK-UHFFFAOYSA-N |
Product Overview
Benzonitrile, 2-amino-, sulfate (1:1) (CAS 63589-19-5), with molecular formula C7H8N2O4S and molecular weight 216.02 g/mol. IUPAC: 2-aminobenzonitrile;sulfuric acid.
Chemical Property Profile of Benzonitrile, 2-amino-, sulfate (1:1)
Property Insights of Benzonitrile, 2-amino-, sulfate (1:1)
The XLogP value of 0.49 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzonitrile, 2-amino-, sulfate (1:1). The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzonitrile, 2-amino-, sulfate (1:1). Following Lipinski's Rule of Five, Benzonitrile, 2-amino-, sulfate (1:1) 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 Benzonitrile, 2-amino-, sulfate (1:1)?
The CAS number of Benzonitrile, 2-amino-, sulfate (1:1) is 63589-19-5.
What is the molecular formula of Benzonitrile, 2-amino-, sulfate (1:1)?
The molecular formula of Benzonitrile, 2-amino-, sulfate (1:1) is C7H8N2O4S.
What is the molecular weight of Benzonitrile, 2-amino-, sulfate (1:1)?
The molecular weight of Benzonitrile, 2-amino-, sulfate (1:1) is 216.02 g/mol.
Where can I buy Benzonitrile, 2-amino-, sulfate (1:1)?
You can request a quote for Benzonitrile, 2-amino-, sulfate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzonitrile, 2-amino-, sulfate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 2-amino-, sulfate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.