C17H21N5O4.1/2H2O
TL;DR: C17H21N5O4.1/2H2O (CAS 64610-57-7) is a chemical compound with molecular formula C17H21N5O4 and molecular weight 359.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethyl-2-(10-methyl-7-nitropyridazino[4,5-b][1,4]benzoxazin-1-yl)oxyethanamine
Also Known As: C17H21N5O4.1/2H2O, C17-H21-N5-O4.1/2H2-O, 10H-Pyridazino(4,5-b)(1,4)benzoxazine, 1-(2-(diethylamino)ethoxy)-10-methyl-7-nitro-, hemihydrate, N,N-diethyl-2-(10-methyl-7-nitropyridazino[4,5-b][1,4]benzoxazin-1-yl)oxyethanamine, diethyl[2-({9-methyl-13-nitro-2-oxa-5,6,9-triazatricyclo[8.4.0.03,8]tetradeca-1(14),3(8),4,6,10,12-hexaen-7-yl}oxy)ethyl]amine
| Molecular Formula | C17H21N5O4 |
|---|---|
| Molecular Weight | 359.16 g/mol |
| LogP | 2.979 |
| Topological Polar Surface Area | 93.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 359.15936 |
| Heavy Atoms | 26 |
| Complexity | 809.7354 |
Chemical Identifiers
| CAS Number | 64610-57-7 |
|---|---|
| SMILES | CCN(CC)CCOC1=C2C(=CN=N1)OC3=C(N2C)C=CC(=C3)[N+](=O)[O-] |
Product Overview
C17H21N5O4.1/2H2O (CAS 64610-57-7), with molecular formula C17H21N5O4 and molecular weight 359.16 g/mol. IUPAC: N,N-diethyl-2-(10-methyl-7-nitropyridazino[4,5-b][1,4]benzoxazin-1-yl)oxyethanamine.
Chemical Property Profile of C17H21N5O4.1/2H2O
Property Insights of C17H21N5O4.1/2H2O
The XLogP value of 2.979 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C17H21N5O4.1/2H2O. The TPSA of 93.86 Ų falls within the moderate polarity range, balancing permeability and solubility for C17H21N5O4.1/2H2O. Following Lipinski's Rule of Five, C17H21N5O4.1/2H2O 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 C17H21N5O4.1/2H2O?
The CAS number of C17H21N5O4.1/2H2O is 64610-57-7.
What is the molecular formula of C17H21N5O4.1/2H2O?
The molecular formula of C17H21N5O4.1/2H2O is C17H21N5O4.
What is the molecular weight of C17H21N5O4.1/2H2O?
The molecular weight of C17H21N5O4.1/2H2O is 359.16 g/mol.
Where can I buy C17H21N5O4.1/2H2O?
You can request a quote for C17H21N5O4.1/2H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C17H21N5O4.1/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C17H21N5O4.1/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.