1,3-Dinitro-2-(4-nitrophenoxy)benzene
TL;DR: 1,3-Dinitro-2-(4-nitrophenoxy)benzene (CAS 89799-07-5) is a chemical compound with molecular formula C12H7N3O7 and molecular weight 305.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dinitro-2-(4-nitrophenoxy)benzene
Also Known As: 1,3-dinitro-2-(4-nitrophenoxy)benzene, KST-1B9087, Benzene,1,3-dinitro-2-(4-nitrophenoxy)-
| Molecular Formula | C12H7N3O7 |
|---|---|
| Molecular Weight | 305.03 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 305.0284 |
| Heavy Atoms | 22 |
| Complexity | 411.0 |
Chemical Identifiers
| CAS Number | 89799-07-5 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)[N+](=O)[O-])OC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | TYMFENATLFITEZ-UHFFFAOYSA-N |
Product Overview
1,3-Dinitro-2-(4-nitrophenoxy)benzene (CAS 89799-07-5), with molecular formula C12H7N3O7 and molecular weight 305.03 g/mol. IUPAC: 1,3-dinitro-2-(4-nitrophenoxy)benzene.
Chemical Property Profile of 1,3-Dinitro-2-(4-nitrophenoxy)benzene
Property Insights of 1,3-Dinitro-2-(4-nitrophenoxy)benzene
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dinitro-2-(4-nitrophenoxy)benzene. The TPSA of 147.0 Ų indicates high polarity, suggesting 1,3-Dinitro-2-(4-nitrophenoxy)benzene may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,3-Dinitro-2-(4-nitrophenoxy)benzene 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 1,3-Dinitro-2-(4-nitrophenoxy)benzene?
The CAS number of 1,3-Dinitro-2-(4-nitrophenoxy)benzene is 89799-07-5.
What is the molecular formula of 1,3-Dinitro-2-(4-nitrophenoxy)benzene?
The molecular formula of 1,3-Dinitro-2-(4-nitrophenoxy)benzene is C12H7N3O7.
What is the molecular weight of 1,3-Dinitro-2-(4-nitrophenoxy)benzene?
The molecular weight of 1,3-Dinitro-2-(4-nitrophenoxy)benzene is 305.03 g/mol.
Where can I buy 1,3-Dinitro-2-(4-nitrophenoxy)benzene?
You can request a quote for 1,3-Dinitro-2-(4-nitrophenoxy)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dinitro-2-(4-nitrophenoxy)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dinitro-2-(4-nitrophenoxy)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.