(2.2)-Paracyclophane, 2,5-dimethoxy-3',6'-dinitro-
TL;DR: (2.2)-Paracyclophane, 2,5-dimethoxy-3',6'-dinitro- (CAS 55076-09-0) is a chemical compound with molecular formula C18H18N2O6 and molecular weight 358.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,15-dimethoxy-11,13-dinitrotricyclo[8.2.2.24,7]hexadeca-1(12),4(16),5,7(15),10,13-hexaene
Also Known As: (2.2)-Paracyclophane, 2,5-dimethoxy-3',6'-dinitro-, [2.2]-Paracyclophane, 2,5-dimethoxy-3',6'-dinitro-, 1~2~,1~5~-Dimethoxy-4~2~,4~5~-dinitro-1,4(1,4)-dibenzenacyclohexaphane
| Molecular Formula | C18H18N2O6 |
|---|---|
| Molecular Weight | 358.12 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 358.1165 |
| Heavy Atoms | 26 |
| Complexity | 473.0 |
Chemical Identifiers
| CAS Number | 55076-09-0 |
|---|---|
| SMILES | COC1=CC2=C(C=C1CCC3=CC(=C(CC2)C=C3[N+](=O)[O-])[N+](=O)[O-])OC |
| InChIKey | JQGPUDICYMUGJJ-UHFFFAOYSA-N |
Product Overview
(2.2)-Paracyclophane, 2,5-dimethoxy-3',6'-dinitro- (CAS 55076-09-0), with molecular formula C18H18N2O6 and molecular weight 358.12 g/mol. IUPAC: 5,15-dimethoxy-11,13-dinitrotricyclo[8.2.2.24,7]hexadeca-1(12),4(16),5,7(15),10,13-hexaene.
Chemical Property Profile of (2.2)-Paracyclophane, 2,5-dimethoxy-3',6'-dinitro-
Property Insights of (2.2)-Paracyclophane, 2,5-dimethoxy-3',6'-dinitro-
The XLogP value of 4.0 indicates that (2.2)-Paracyclophane, 2,5-dimethoxy-3',6'-dinitro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2.2)-Paracyclophane, 2,5-dimethoxy-3',6'-dinitro-. Following Lipinski's Rule of Five, (2.2)-Paracyclophane, 2,5-dimethoxy-3',6'-dinitro- has 0 hydrogen bond donor(s) and 6 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 (2.2)-Paracyclophane, 2,5-dimethoxy-3',6'-dinitro-?
The CAS number of (2.2)-Paracyclophane, 2,5-dimethoxy-3',6'-dinitro- is 55076-09-0.
What is the molecular formula of (2.2)-Paracyclophane, 2,5-dimethoxy-3',6'-dinitro-?
The molecular formula of (2.2)-Paracyclophane, 2,5-dimethoxy-3',6'-dinitro- is C18H18N2O6.
What is the molecular weight of (2.2)-Paracyclophane, 2,5-dimethoxy-3',6'-dinitro-?
The molecular weight of (2.2)-Paracyclophane, 2,5-dimethoxy-3',6'-dinitro- is 358.12 g/mol.
Where can I buy (2.2)-Paracyclophane, 2,5-dimethoxy-3',6'-dinitro-?
You can request a quote for (2.2)-Paracyclophane, 2,5-dimethoxy-3',6'-dinitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2.2)-Paracyclophane, 2,5-dimethoxy-3',6'-dinitro-?
Yes, KEHONG BIO provides custom synthesis services for (2.2)-Paracyclophane, 2,5-dimethoxy-3',6'-dinitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.