Aminofenitrothion
TL;DR: Aminofenitrothion (CAS 13306-69-9) is a chemical compound with molecular formula C9H14NO3PS and molecular weight 247.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-dimethoxyphosphinothioyloxy-2-methylaniline
Also Known As: Aminosumithion, 4-Aminofenitrothion, AMINOFENITROTHION, Fenitrothion amino analog, Fenitrothion metabolite
| Molecular Formula | C9H14NO3PS |
|---|---|
| Molecular Weight | 247.04 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 85.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.0432 |
| Heavy Atoms | 15 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 13306-69-9 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OP(=S)(OC)OC)N |
| InChIKey | MBJWTIDJKMSHDR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Aminofenitrothion (CAS 13306-69-9), with molecular formula C9H14NO3PS and molecular weight 247.04 g/mol. IUPAC: 4-dimethoxyphosphinothioyloxy-2-methylaniline.
Chemical Property Profile of Aminofenitrothion
Property Insights of Aminofenitrothion
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aminofenitrothion. The TPSA of 85.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Aminofenitrothion. Following Lipinski's Rule of Five, Aminofenitrothion has 1 hydrogen bond donor(s) and 5 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 Aminofenitrothion?
The CAS number of Aminofenitrothion is 13306-69-9.
What is the molecular formula of Aminofenitrothion?
The molecular formula of Aminofenitrothion is C9H14NO3PS.
What is the molecular weight of Aminofenitrothion?
The molecular weight of Aminofenitrothion is 247.04 g/mol.
Where can I buy Aminofenitrothion?
You can request a quote for Aminofenitrothion directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aminofenitrothion?
Yes, KEHONG BIO provides custom synthesis services for Aminofenitrothion and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.