Nitroso-pendimethalin
TL;DR: Nitroso-pendimethalin (CAS 68897-50-7) is a chemical compound with molecular formula C13H18N4O5 and molecular weight 310.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,4-dimethyl-2,6-dinitrophenyl)-N-pentan-3-ylnitrous amide
Also Known As: N-NITROSOPENDIMETHALIN, Nitroso-pendimethalin, N-nitroso-pendimethalin, Pendimethalin-N-Nitroso, N-Nitrosopendimethalin (~90%)
| Molecular Formula | C13H18N4O5 |
|---|---|
| Molecular Weight | 310.13 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 310.12772 |
| Heavy Atoms | 22 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 68897-50-7 |
|---|---|
| SMILES | CCC(CC)N(C1=C(C=C(C(=C1[N+](=O)[O-])C)C)[N+](=O)[O-])N=O |
| InChIKey | MIHBNYMMGYGFGX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Nitroso-pendimethalin (CAS 68897-50-7), with molecular formula C13H18N4O5 and molecular weight 310.13 g/mol. IUPAC: N-(3,4-dimethyl-2,6-dinitrophenyl)-N-pentan-3-ylnitrous amide.
Chemical Property Profile of Nitroso-pendimethalin
Property Insights of Nitroso-pendimethalin
The XLogP value of 4.0 indicates that Nitroso-pendimethalin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Nitroso-pendimethalin. Following Lipinski's Rule of Five, Nitroso-pendimethalin has 0 hydrogen bond donor(s) and 7 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 Nitroso-pendimethalin?
The CAS number of Nitroso-pendimethalin is 68897-50-7.
What is the molecular formula of Nitroso-pendimethalin?
The molecular formula of Nitroso-pendimethalin is C13H18N4O5.
What is the molecular weight of Nitroso-pendimethalin?
The molecular weight of Nitroso-pendimethalin is 310.13 g/mol.
Where can I buy Nitroso-pendimethalin?
You can request a quote for Nitroso-pendimethalin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nitroso-pendimethalin?
Yes, KEHONG BIO provides custom synthesis services for Nitroso-pendimethalin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.