A3522/0149130
TL;DR: A3522/0149130 (CAS 696658-91-0) is a chemical compound with molecular formula C16H16N4O6 and molecular weight 360.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-8'-nitrospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-2,4,6-trione
Also Known As: A3522/0149130, 1'-methyl-8-nitro-1,2,4,4a-tetrahydro-2'H,6H-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione, 1'-methyl-8-nitro-2,4,4a,6-tetrahydro-1H,1'H-spiro[[1,4]oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione, 1-methyl-8'-nitrospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-2,4,6-trione, 2'-hydroxy-1'-methyl-8-nitro-1,2,4,4a-tetrahydro-4'H,6H-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidine]-4',6'(1'H)-dione
| Molecular Formula | C16H16N4O6 |
|---|---|
| Molecular Weight | 360.11 g/mol |
| LogP | 0.0507 |
| Topological Polar Surface Area | 122.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 360.107 |
| Heavy Atoms | 26 |
| Complexity | 855.1418 |
Chemical Identifiers
| CAS Number | 696658-91-0 |
|---|---|
| SMILES | CN1C(=O)C2(CC3=C(C=CC(=C3)[N+](=O)[O-])N4C2COCC4)C(=O)NC1=O |
Product Overview
A3522/0149130 (CAS 696658-91-0), with molecular formula C16H16N4O6 and molecular weight 360.11 g/mol. IUPAC: 1-methyl-8'-nitrospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-2,4,6-trione.
Chemical Property Profile of A3522/0149130
Property Insights of A3522/0149130
The XLogP value of 0.0507 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3522/0149130. The TPSA of 122.09 Ų falls within the moderate polarity range, balancing permeability and solubility for A3522/0149130. Following Lipinski's Rule of Five, A3522/0149130 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 A3522/0149130?
The CAS number of A3522/0149130 is 696658-91-0.
What is the molecular formula of A3522/0149130?
The molecular formula of A3522/0149130 is C16H16N4O6.
What is the molecular weight of A3522/0149130?
The molecular weight of A3522/0149130 is 360.11 g/mol.
Where can I buy A3522/0149130?
You can request a quote for A3522/0149130 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3522/0149130?
Yes, KEHONG BIO provides custom synthesis services for A3522/0149130 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.