J3.041.683J
TL;DR: J3.041.683J (CAS 294198-01-9) is a chemical compound with molecular formula C21H22N4O5 and molecular weight 410.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,8,8-tetramethyl-5-(3-nitrophenyl)-5,7,9,10-tetrahydropyrimido[4,5-b]quinoline-2,4,6-trione
Also Known As: J3.041.683J, F1700-0003, 1,3,8,8-tetramethyl-5-(3-nitrophenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-2,4,6(1H,3H,7H)-trione, 1,3,8,8-tetramethyl-5-(3-nitrophenyl)-1H,2H,3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-2,4,6-trione, 1,3,8,8-tetramethyl-5-(3-nitrophenyl)-5,7,9,10-tetrahydropyrimido[4,5-b]quinoline-2,4,6-trione
| Molecular Formula | C21H22N4O5 |
|---|---|
| Molecular Weight | 410.16 g/mol |
| LogP | 2.1928 |
| Topological Polar Surface Area | 116.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 410.15903 |
| Heavy Atoms | 30 |
| Complexity | 1265.1334 |
Chemical Identifiers
| CAS Number | 294198-01-9 |
|---|---|
| SMILES | CC1(CC2=C(C(C3=C(N2)N(C(=O)N(C3=O)C)C)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)C1)C |
Product Overview
J3.041.683J (CAS 294198-01-9), with molecular formula C21H22N4O5 and molecular weight 410.16 g/mol. IUPAC: 1,3,8,8-tetramethyl-5-(3-nitrophenyl)-5,7,9,10-tetrahydropyrimido[4,5-b]quinoline-2,4,6-trione.
Chemical Property Profile of J3.041.683J
Property Insights of J3.041.683J
The XLogP value of 2.1928 suggests moderate lipophilicity, balancing water solubility and membrane permeability for J3.041.683J. The TPSA of 116.24 Ų falls within the moderate polarity range, balancing permeability and solubility for J3.041.683J. Following Lipinski's Rule of Five, J3.041.683J 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 J3.041.683J?
The CAS number of J3.041.683J is 294198-01-9.
What is the molecular formula of J3.041.683J?
The molecular formula of J3.041.683J is C21H22N4O5.
What is the molecular weight of J3.041.683J?
The molecular weight of J3.041.683J is 410.16 g/mol.
Where can I buy J3.041.683J?
You can request a quote for J3.041.683J directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J3.041.683J?
Yes, KEHONG BIO provides custom synthesis services for J3.041.683J and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.