A3893/0165540
TL;DR: A3893/0165540 (CAS 727372-77-2) is a chemical compound with molecular formula C22H21N5O5 and molecular weight 435.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3'-benzyl-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: A3893/0165540, 3-benzyl-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, 14-nitro-9-benzylspiro[1,3,5-trihydropyrimidine-5,5'-5,6,11,4a-tetrahydropiper azino[1,2-a]quinoline]-2,4,6-trione, 3'-BENZYL-8'-NITRO-1',2',3',4',4'A,6'-HEXAHYDROSPIRO[1,5-DIAZINANE-3,5'-PYRAZINO[1,2-A]QUINOLINE]-2,4,6-TRIONE, 3'-benzyl-8'-nitrospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione
| Molecular Formula | C22H21N5O5 |
|---|---|
| Molecular Weight | 435.15 g/mol |
| LogP | 1.1941 |
| Topological Polar Surface Area | 124.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 435.15427 |
| Heavy Atoms | 32 |
| Complexity | 1114.7864 |
Chemical Identifiers
| CAS Number | 727372-77-2 |
|---|---|
| SMILES | C1CN2C(CN1CC3=CC=CC=C3)C4(CC5=C2C=CC(=C5)[N+](=O)[O-])C(=O)NC(=O)NC4=O |
Product Overview
A3893/0165540 (CAS 727372-77-2), with molecular formula C22H21N5O5 and molecular weight 435.15 g/mol. IUPAC: 3'-benzyl-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 A3893/0165540
Property Insights of A3893/0165540
The XLogP value of 1.1941 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3893/0165540. The TPSA of 124.89 Ų falls within the moderate polarity range, balancing permeability and solubility for A3893/0165540. Following Lipinski's Rule of Five, A3893/0165540 has 2 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 A3893/0165540?
The CAS number of A3893/0165540 is 727372-77-2.
What is the molecular formula of A3893/0165540?
The molecular formula of A3893/0165540 is C22H21N5O5.
What is the molecular weight of A3893/0165540?
The molecular weight of A3893/0165540 is 435.15 g/mol.
Where can I buy A3893/0165540?
You can request a quote for A3893/0165540 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3893/0165540?
Yes, KEHONG BIO provides custom synthesis services for A3893/0165540 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.