Amoscanate
TL;DR: Amoscanate (CAS 26328-53-0) is a chemical compound with molecular formula C13H9N3O2S and molecular weight 271.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-isothiocyanato-N-(4-nitrophenyl)aniline
Also Known As: Amoscanate, Nithiocyamine, Amoscanato, Amoscanatum, Amoscanate [INN]
| Molecular Formula | C13H9N3O2S |
|---|---|
| Molecular Weight | 271.04 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 271.04153 |
| Heavy Atoms | 19 |
| Complexity | 349.0 |
Chemical Identifiers
| CAS Number | 26328-53-0 |
|---|---|
| SMILES | C1=CC(=CC=C1NC2=CC=C(C=C2)[N+](=O)[O-])N=C=S |
| InChIKey | DKVNAGXPRSYHLB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Amoscanate (CAS 26328-53-0), with molecular formula C13H9N3O2S and molecular weight 271.04 g/mol. IUPAC: 4-isothiocyanato-N-(4-nitrophenyl)aniline.
Chemical Property Profile of Amoscanate
Property Insights of Amoscanate
The XLogP value of 5.2 indicates that Amoscanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Amoscanate. Following Lipinski's Rule of Five, Amoscanate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Amoscanate?
The CAS number of Amoscanate is 26328-53-0.
What is the molecular formula of Amoscanate?
The molecular formula of Amoscanate is C13H9N3O2S.
What is the molecular weight of Amoscanate?
The molecular weight of Amoscanate is 271.04 g/mol.
Where can I buy Amoscanate?
You can request a quote for Amoscanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Amoscanate?
Yes, KEHONG BIO provides custom synthesis services for Amoscanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.