A3522/0149129
TL;DR: A3522/0149129 (CAS 696658-90-9) is a chemical compound with molecular formula C17H19N5O5 and molecular weight 373.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3'-dimethyl-8'-nitrospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione
Also Known As: A3522/0149129, 1',3-dimethyl-8-nitro-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione, 1',3-dimethyl-8-nitro-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione, 1,3'-dimethyl-8'-nitrospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione, 2'-hydroxy-1',3-dimethyl-8-nitro-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-4',6'(1'H)-dione
| Molecular Formula | C17H19N5O5 |
|---|---|
| Molecular Weight | 373.14 g/mol |
| LogP | -0.0341 |
| Topological Polar Surface Area | 116.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 373.1386 |
| Heavy Atoms | 27 |
| Complexity | 886.46515 |
Chemical Identifiers
| CAS Number | 696658-90-9 |
|---|---|
| SMILES | CN1CCN2C(C1)C3(CC4=C2C=CC(=C4)[N+](=O)[O-])C(=O)NC(=O)N(C3=O)C |
Product Overview
A3522/0149129 (CAS 696658-90-9), with molecular formula C17H19N5O5 and molecular weight 373.14 g/mol. IUPAC: 1,3'-dimethyl-8'-nitrospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione.
Chemical Property Profile of A3522/0149129
Property Insights of A3522/0149129
The XLogP value of -0.0341 indicates that A3522/0149129 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 116.1 Ų falls within the moderate polarity range, balancing permeability and solubility for A3522/0149129. Following Lipinski's Rule of Five, A3522/0149129 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 A3522/0149129?
The CAS number of A3522/0149129 is 696658-90-9.
What is the molecular formula of A3522/0149129?
The molecular formula of A3522/0149129 is C17H19N5O5.
What is the molecular weight of A3522/0149129?
The molecular weight of A3522/0149129 is 373.14 g/mol.
Where can I buy A3522/0149129?
You can request a quote for A3522/0149129 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3522/0149129?
Yes, KEHONG BIO provides custom synthesis services for A3522/0149129 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.