Dncde
TL;DR: Dncde (CAS 20115-34-8) is a chemical compound with molecular formula C12H7ClN2O5 and molecular weight 294.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-nitro-1-(4-nitrophenoxy)benzene
Also Known As: DNCDE, 4-chloro-2-nitro-1- benzene, 4-chloro-2-nitro-1-(4-nitrophenoxy)benzene, Benzene, 4-chloro-2-nitro-1-(4-nitrophenoxy)-
| Molecular Formula | C12H7ClN2O5 |
|---|---|
| Molecular Weight | 294.00 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 294.00436 |
| Heavy Atoms | 20 |
| Complexity | 362.0 |
Chemical Identifiers
| CAS Number | 20115-34-8 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])OC2=C(C=C(C=C2)Cl)[N+](=O)[O-] |
| InChIKey | ZJHSNOFKEHUVCI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dncde (CAS 20115-34-8), with molecular formula C12H7ClN2O5 and molecular weight 294.00 g/mol. IUPAC: 4-chloro-2-nitro-1-(4-nitrophenoxy)benzene.
Chemical Property Profile of Dncde
Property Insights of Dncde
The XLogP value of 3.7 indicates that Dncde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dncde. Following Lipinski's Rule of Five, Dncde has 0 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 Dncde?
The CAS number of Dncde is 20115-34-8.
What is the molecular formula of Dncde?
The molecular formula of Dncde is C12H7ClN2O5.
What is the molecular weight of Dncde?
The molecular weight of Dncde is 294.00 g/mol.
Where can I buy Dncde?
You can request a quote for Dncde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dncde?
Yes, KEHONG BIO provides custom synthesis services for Dncde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.