Bionet1_001145
TL;DR: Bionet1_001145 (CAS 22794-77-0) is a chemical compound with molecular formula C20H16N4O5 and molecular weight 392.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,4-dinitrophenyl)-12-oxa-16-azatetracyclo[11.2.1.02,11.03,8]hexadeca-2(11),3,5,7,9-pentaen-16-amine
Also Known As: Bionet1_001145, N-(2,4-dinitrophenyl)-2-oxa-16-azatetracyclo[11.2.1.0~3,12~.0~6,11~]hexadeca-3(12),4,6(11),7,9-pentaen-16-amine, 4J-020, N-(2,4-dinitrophenyl)-12-oxa-16-azatetracyclo[11.2.1.0^{2,11}.0^{3,8}]hexadeca-2(11),3(8),4,6,9-pentaen-16-amine, N-(2,4-Dinitrophenyl)-12-oxa-16-azatetracyclo[11.2.1.02,11.03,8]hexadeca-2(11),3,5,7,9-pentaen-16-amine
| Molecular Formula | C20H16N4O5 |
|---|---|
| Molecular Weight | 392.11 g/mol |
| LogP | 4.5387 |
| Topological Polar Surface Area | 110.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 392.11206 |
| Heavy Atoms | 29 |
| Complexity | 1164.8168 |
Chemical Identifiers
| CAS Number | 22794-77-0 |
|---|---|
| SMILES | C1CC2N(C1C3=C(O2)C=CC4=CC=CC=C43)NC5=C(C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
Bionet1_001145 (CAS 22794-77-0), with molecular formula C20H16N4O5 and molecular weight 392.11 g/mol. IUPAC: N-(2,4-dinitrophenyl)-12-oxa-16-azatetracyclo[11.2.1.02,11.03,8]hexadeca-2(11),3,5,7,9-pentaen-16-amine.
Chemical Property Profile of Bionet1_001145
Property Insights of Bionet1_001145
The XLogP value of 4.5387 indicates that Bionet1_001145 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.78 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_001145. Following Lipinski's Rule of Five, Bionet1_001145 has 1 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 Bionet1_001145?
The CAS number of Bionet1_001145 is 22794-77-0.
What is the molecular formula of Bionet1_001145?
The molecular formula of Bionet1_001145 is C20H16N4O5.
What is the molecular weight of Bionet1_001145?
The molecular weight of Bionet1_001145 is 392.11 g/mol.
Where can I buy Bionet1_001145?
You can request a quote for Bionet1_001145 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_001145?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_001145 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.