A3753/0159118
TL;DR: A3753/0159118 (CAS 727366-00-9) is a chemical compound with molecular formula C24H23N5O6 and molecular weight 477.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3'-benzoyl-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: A3753/0159118, 1',3'-dimethyl-8-nitro-3-(phenylcarbonyl)-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, 3'-benzoyl-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, 3-benzoyl-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, 3-benzoyl-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
| Molecular Formula | C24H23N5O6 |
|---|---|
| Molecular Weight | 477.16 g/mol |
| LogP | 1.5187 |
| Topological Polar Surface Area | 124.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 477.16483 |
| Heavy Atoms | 35 |
| Complexity | 1254.4208 |
Chemical Identifiers
| CAS Number | 727366-00-9 |
|---|---|
| SMILES | CN1C(=O)C2(CC3=C(C=CC(=C3)[N+](=O)[O-])N4C2CN(CC4)C(=O)C5=CC=CC=C5)C(=O)N(C1=O)C |
Product Overview
A3753/0159118 (CAS 727366-00-9), with molecular formula C24H23N5O6 and molecular weight 477.16 g/mol. IUPAC: 3'-benzoyl-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 A3753/0159118
Property Insights of A3753/0159118
The XLogP value of 1.5187 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3753/0159118. The TPSA of 124.38 Ų falls within the moderate polarity range, balancing permeability and solubility for A3753/0159118. Following Lipinski's Rule of Five, A3753/0159118 has 0 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 A3753/0159118?
The CAS number of A3753/0159118 is 727366-00-9.
What is the molecular formula of A3753/0159118?
The molecular formula of A3753/0159118 is C24H23N5O6.
What is the molecular weight of A3753/0159118?
The molecular weight of A3753/0159118 is 477.16 g/mol.
Where can I buy A3753/0159118?
You can request a quote for A3753/0159118 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3753/0159118?
Yes, KEHONG BIO provides custom synthesis services for A3753/0159118 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.