A4004/0170711
TL;DR: A4004/0170711 (CAS 727370-72-1) is a chemical compound with molecular formula C23H23N5O5 and molecular weight 449.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3'-ethyl-8'-nitro-1-phenylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione
Also Known As: A4004/0170711, 3'-ethyl-8'-nitro-1-phenylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione, 3-ethyl-8-nitro-1'-phenyl-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-ethyl-8-nitro-1'-phenyl-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione
| Molecular Formula | C23H23N5O5 |
|---|---|
| Molecular Weight | 449.17 g/mol |
| LogP | 1.9308 |
| Topological Polar Surface Area | 116.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 449.16992 |
| Heavy Atoms | 33 |
| Complexity | 1169.087 |
Chemical Identifiers
| CAS Number | 727370-72-1 |
|---|---|
| SMILES | CCN1CCN2C(C1)C3(CC4=C2C=CC(=C4)[N+](=O)[O-])C(=O)NC(=O)N(C3=O)C5=CC=CC=C5 |
Product Overview
A4004/0170711 (CAS 727370-72-1), with molecular formula C23H23N5O5 and molecular weight 449.17 g/mol. IUPAC: 3'-ethyl-8'-nitro-1-phenylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione.
Chemical Property Profile of A4004/0170711
Property Insights of A4004/0170711
The XLogP value of 1.9308 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A4004/0170711. The TPSA of 116.1 Ų falls within the moderate polarity range, balancing permeability and solubility for A4004/0170711. Following Lipinski's Rule of Five, A4004/0170711 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 A4004/0170711?
The CAS number of A4004/0170711 is 727370-72-1.
What is the molecular formula of A4004/0170711?
The molecular formula of A4004/0170711 is C23H23N5O5.
What is the molecular weight of A4004/0170711?
The molecular weight of A4004/0170711 is 449.17 g/mol.
Where can I buy A4004/0170711?
You can request a quote for A4004/0170711 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4004/0170711?
Yes, KEHONG BIO provides custom synthesis services for A4004/0170711 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.