![11-isobutyryl-1,3-dimethyl-5-(4-nitrophenyl)-5,11-dihydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione structure](/static/products/3560/356086-98-1.webp)
11-isobutyryl-1,3-dimethyl-5-(4-nitrophenyl)-5,11-dihydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione
TL;DR: 11-isobutyryl-1,3-dimethyl-5-(4-nitrophenyl)-5,11-dihydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione (CAS 356086-98-1) is a chemical compound with molecular formula C26H22N4O6 and molecular weight 486.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,7-dimethyl-9-(2-methylpropanoyl)-2-(4-nitrophenyl)-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-4,6,17-trione
Also Known As: 11-isobutyryl-1,3-dimethyl-5-(4-nitrophenyl)-5,11-dihydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione, 1,3-dimethyl-11-(2-methylpropanoyl)-5-(4-nitrophenyl)-1,3,5,11-tetrahydroinden o[2,3-e]pyrimidino[4,5-b]pyridine-2,4,6-trione, 1,3-dimethyl-11-(2-methylpropanoyl)-5-(4-nitrophenyl)-5,11-dihydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione, 5,11-Dihydro-1,3-dimethyl-11-(2-methyl-1-oxopropyl)-5-(4-nitrophenyl)-1H-indeno[2a(2),1a(2):5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione
| Molecular Formula | C26H22N4O6 |
|---|---|
| Molecular Weight | 486.15 g/mol |
| LogP | 2.7343 |
| Topological Polar Surface Area | 124.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 486.15393 |
| Heavy Atoms | 36 |
| Complexity | 1642.3088 |
Chemical Identifiers
| CAS Number | 356086-98-1 |
|---|---|
| SMILES | CC(C)C(=O)N1C2=C(C(C3=C1N(C(=O)N(C3=O)C)C)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)C5=CC=CC=C52 |
Product Overview
11-isobutyryl-1,3-dimethyl-5-(4-nitrophenyl)-5,11-dihydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione (CAS 356086-98-1), with molecular formula C26H22N4O6 and molecular weight 486.15 g/mol. IUPAC: 5,7-dimethyl-9-(2-methylpropanoyl)-2-(4-nitrophenyl)-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-4,6,17-trione.
Chemical Property Profile of 11-isobutyryl-1,3-dimethyl-5-(4-nitrophenyl)-5,11-dihydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione
Property Insights of 11-isobutyryl-1,3-dimethyl-5-(4-nitrophenyl)-5,11-dihydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione
The XLogP value of 2.7343 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 11-isobutyryl-1,3-dimethyl-5-(4-nitrophenyl)-5,11-dihydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione. The TPSA of 124.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 11-isobutyryl-1,3-dimethyl-5-(4-nitrophenyl)-5,11-dihydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione. Following Lipinski's Rule of Five, 11-isobutyryl-1,3-dimethyl-5-(4-nitrophenyl)-5,11-dihydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione has 0 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 11-isobutyryl-1,3-dimethyl-5-(4-nitrophenyl)-5,11-dihydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione?
The CAS number of 11-isobutyryl-1,3-dimethyl-5-(4-nitrophenyl)-5,11-dihydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione is 356086-98-1.
What is the molecular formula of 11-isobutyryl-1,3-dimethyl-5-(4-nitrophenyl)-5,11-dihydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione?
The molecular formula of 11-isobutyryl-1,3-dimethyl-5-(4-nitrophenyl)-5,11-dihydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione is C26H22N4O6.
What is the molecular weight of 11-isobutyryl-1,3-dimethyl-5-(4-nitrophenyl)-5,11-dihydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione?
The molecular weight of 11-isobutyryl-1,3-dimethyl-5-(4-nitrophenyl)-5,11-dihydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione is 486.15 g/mol.
Where can I buy 11-isobutyryl-1,3-dimethyl-5-(4-nitrophenyl)-5,11-dihydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione?
You can request a quote for 11-isobutyryl-1,3-dimethyl-5-(4-nitrophenyl)-5,11-dihydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11-isobutyryl-1,3-dimethyl-5-(4-nitrophenyl)-5,11-dihydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione?
Yes, KEHONG BIO provides custom synthesis services for 11-isobutyryl-1,3-dimethyl-5-(4-nitrophenyl)-5,11-dihydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.