c22H22N6O3.3/4H2O
TL;DR: c22H22N6O3.3/4H2O (CAS 64610-73-7) is a chemical compound with molecular formula C22H22N6O3 and molecular weight 418.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-benzyl-1-(4-methylpiperazin-1-yl)-7-nitropyridazino[4,5-b][1,4]benzoxazine
Also Known As: c22H22N6O3.3/4H2O, c22-H22-N6-O3.3/4H2-O, 10H-Pyridazino(4,5-b)(1,4)benzoxazine, 10-benzyl-1-(4-methyl-1-piperazinyl)-7-nitro-, hydrate (4:3), 10-Benzyl-1- -7-nitro-10H-pyridazino[4,5-b][1,4]benzoxazine, 10-Benzyl-1-(4-methyl-1-piperazinyl)-7-nitro-10H-pyridazino[4,5-b][1,4]benzoxazine
| Molecular Formula | C22H22N6O3 |
|---|---|
| Molecular Weight | 418.18 g/mol |
| LogP | 3.5806 |
| Topological Polar Surface Area | 87.87 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 418.17532 |
| Heavy Atoms | 31 |
| Complexity | 1115.484 |
Chemical Identifiers
| CAS Number | 64610-73-7 |
|---|---|
| SMILES | CN1CCN(CC1)C2=C3C(=CN=N2)OC4=C(N3CC5=CC=CC=C5)C=CC(=C4)[N+](=O)[O-] |
Product Overview
c22H22N6O3.3/4H2O (CAS 64610-73-7), with molecular formula C22H22N6O3 and molecular weight 418.18 g/mol. IUPAC: 10-benzyl-1-(4-methylpiperazin-1-yl)-7-nitropyridazino[4,5-b][1,4]benzoxazine.
Chemical Property Profile of c22H22N6O3.3/4H2O
Property Insights of c22H22N6O3.3/4H2O
The XLogP value of 3.5806 indicates that c22H22N6O3.3/4H2O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.87 Ų falls within the moderate polarity range, balancing permeability and solubility for c22H22N6O3.3/4H2O. Following Lipinski's Rule of Five, c22H22N6O3.3/4H2O has 0 hydrogen bond donor(s) and 8 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 c22H22N6O3.3/4H2O?
The CAS number of c22H22N6O3.3/4H2O is 64610-73-7.
What is the molecular formula of c22H22N6O3.3/4H2O?
The molecular formula of c22H22N6O3.3/4H2O is C22H22N6O3.
What is the molecular weight of c22H22N6O3.3/4H2O?
The molecular weight of c22H22N6O3.3/4H2O is 418.18 g/mol.
Where can I buy c22H22N6O3.3/4H2O?
You can request a quote for c22H22N6O3.3/4H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for c22H22N6O3.3/4H2O?
Yes, KEHONG BIO provides custom synthesis services for c22H22N6O3.3/4H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.