A3858/0163846
TL;DR: A3858/0163846 (CAS 728025-95-4) is a chemical compound with molecular formula C20H18N4O5 and molecular weight 394.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-1'-methyl-6'-nitrospiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione
Also Known As: A3858/0163846, 1-benzyl-1'-methyl-6'-nitrospiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione, 1-benzyl-1'-methyl-6'-nitro-1',4'-dihydro-2H,2'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(1H,3H)-trione, 1-benzyl-1'-methyl-6'-nitro-2',4'-dihydro-1H,1'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(3H)-trione
| Molecular Formula | C20H18N4O5 |
|---|---|
| Molecular Weight | 394.13 g/mol |
| LogP | 1.8521 |
| Topological Polar Surface Area | 112.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 394.12772 |
| Heavy Atoms | 29 |
| Complexity | 1038.422 |
Chemical Identifiers
| CAS Number | 728025-95-4 |
|---|---|
| SMILES | CN1CC2(CC3=C1C=CC(=C3)[N+](=O)[O-])C(=O)NC(=O)N(C2=O)CC4=CC=CC=C4 |
Product Overview
A3858/0163846 (CAS 728025-95-4), with molecular formula C20H18N4O5 and molecular weight 394.13 g/mol. IUPAC: 1-benzyl-1'-methyl-6'-nitrospiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione.
Chemical Property Profile of A3858/0163846
Property Insights of A3858/0163846
The XLogP value of 1.8521 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3858/0163846. The TPSA of 112.86 Ų falls within the moderate polarity range, balancing permeability and solubility for A3858/0163846. Following Lipinski's Rule of Five, A3858/0163846 has 1 hydrogen bond donor(s) and 6 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 A3858/0163846?
The CAS number of A3858/0163846 is 728025-95-4.
What is the molecular formula of A3858/0163846?
The molecular formula of A3858/0163846 is C20H18N4O5.
What is the molecular weight of A3858/0163846?
The molecular weight of A3858/0163846 is 394.13 g/mol.
Where can I buy A3858/0163846?
You can request a quote for A3858/0163846 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3858/0163846?
Yes, KEHONG BIO provides custom synthesis services for A3858/0163846 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.