![1'-(sec-butyl)-4-methyl-3,4-dihydro-1H,1'H-spiro[benzo[f]quinoline-2,5'-pyrimidine]-2',4',6'(3'H)-trione structure](/static/products/879/879445-18-8.png)
1'-(sec-butyl)-4-methyl-3,4-dihydro-1H,1'H-spiro[benzo[f]quinoline-2,5'-pyrimidine]-2',4',6'(3'H)-trione
TL;DR: 1'-(sec-butyl)-4-methyl-3,4-dihydro-1H,1'H-spiro[benzo[f]quinoline-2,5'-pyrimidine]-2',4',6'(3'H)-trione (CAS 879445-18-8) is a chemical compound with molecular formula C21H23N3O3 and molecular weight 365.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butan-2-yl-4'-methylspiro[1,3-diazinane-5,2'-1,3-dihydrobenzo[f]quinoline]-2,4,6-trione
Also Known As: 1'-(sec-butyl)-4-methyl-3,4-dihydro-1H,1'H-spiro[benzo[f]quinoline-2,5'-pyrimidine]-2',4',6'(3'H)-trione, 1-butan-2-yl-4''-methyl-spiro[1,3-diazinane-5,2''-1,3-dihydrobenzo[f]quinoline]-2,4,6-trione, 1-butan-2-yl-4''-methylspiro[1,3-diazinane-5,2''-1,3-dihydrobenzo[f]quinoline]-2,4,6-trione, 1-butan-2-yl-4'-methylspiro[1,3-diazinane-5,2'-1,3-dihydrobenzo[f]quinoline]-2,4,6-trione, 3'-(butan-2-yl)-6'-hydroxy-4-methyl-3,4-dihydro-1H,2'H-spiro[benzo[f]quinoline-2,5'-pyrimidine]-2',4'(3'H)-dione
| Molecular Formula | C21H23N3O3 |
|---|---|
| Molecular Weight | 365.17 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 365.17395 |
| Heavy Atoms | 27 |
| Complexity | 651.0 |
Chemical Identifiers
| CAS Number | 879445-18-8 |
|---|---|
| SMILES | CCC(C)N1C(=O)C2(CC3=C(C=CC4=CC=CC=C34)N(C2)C)C(=O)NC1=O |
| InChIKey | SNEXVRBPNBWPCO-UHFFFAOYSA-N |
Product Overview
1'-(sec-butyl)-4-methyl-3,4-dihydro-1H,1'H-spiro[benzo[f]quinoline-2,5'-pyrimidine]-2',4',6'(3'H)-trione (CAS 879445-18-8), with molecular formula C21H23N3O3 and molecular weight 365.17 g/mol. IUPAC: 1-butan-2-yl-4'-methylspiro[1,3-diazinane-5,2'-1,3-dihydrobenzo[f]quinoline]-2,4,6-trione.
Chemical Property Profile of 1'-(sec-butyl)-4-methyl-3,4-dihydro-1H,1'H-spiro[benzo[f]quinoline-2,5'-pyrimidine]-2',4',6'(3'H)-trione
Property Insights of 1'-(sec-butyl)-4-methyl-3,4-dihydro-1H,1'H-spiro[benzo[f]quinoline-2,5'-pyrimidine]-2',4',6'(3'H)-trione
The XLogP value of 3.3 indicates that 1'-(sec-butyl)-4-methyl-3,4-dihydro-1H,1'H-spiro[benzo[f]quinoline-2,5'-pyrimidine]-2',4',6'(3'H)-trione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1'-(sec-butyl)-4-methyl-3,4-dihydro-1H,1'H-spiro[benzo[f]quinoline-2,5'-pyrimidine]-2',4',6'(3'H)-trione. Following Lipinski's Rule of Five, 1'-(sec-butyl)-4-methyl-3,4-dihydro-1H,1'H-spiro[benzo[f]quinoline-2,5'-pyrimidine]-2',4',6'(3'H)-trione has 1 hydrogen bond donor(s) and 4 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 1'-(sec-butyl)-4-methyl-3,4-dihydro-1H,1'H-spiro[benzo[f]quinoline-2,5'-pyrimidine]-2',4',6'(3'H)-trione?
The CAS number of 1'-(sec-butyl)-4-methyl-3,4-dihydro-1H,1'H-spiro[benzo[f]quinoline-2,5'-pyrimidine]-2',4',6'(3'H)-trione is 879445-18-8.
What is the molecular formula of 1'-(sec-butyl)-4-methyl-3,4-dihydro-1H,1'H-spiro[benzo[f]quinoline-2,5'-pyrimidine]-2',4',6'(3'H)-trione?
The molecular formula of 1'-(sec-butyl)-4-methyl-3,4-dihydro-1H,1'H-spiro[benzo[f]quinoline-2,5'-pyrimidine]-2',4',6'(3'H)-trione is C21H23N3O3.
What is the molecular weight of 1'-(sec-butyl)-4-methyl-3,4-dihydro-1H,1'H-spiro[benzo[f]quinoline-2,5'-pyrimidine]-2',4',6'(3'H)-trione?
The molecular weight of 1'-(sec-butyl)-4-methyl-3,4-dihydro-1H,1'H-spiro[benzo[f]quinoline-2,5'-pyrimidine]-2',4',6'(3'H)-trione is 365.17 g/mol.
Where can I buy 1'-(sec-butyl)-4-methyl-3,4-dihydro-1H,1'H-spiro[benzo[f]quinoline-2,5'-pyrimidine]-2',4',6'(3'H)-trione?
You can request a quote for 1'-(sec-butyl)-4-methyl-3,4-dihydro-1H,1'H-spiro[benzo[f]quinoline-2,5'-pyrimidine]-2',4',6'(3'H)-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1'-(sec-butyl)-4-methyl-3,4-dihydro-1H,1'H-spiro[benzo[f]quinoline-2,5'-pyrimidine]-2',4',6'(3'H)-trione?
Yes, KEHONG BIO provides custom synthesis services for 1'-(sec-butyl)-4-methyl-3,4-dihydro-1H,1'H-spiro[benzo[f]quinoline-2,5'-pyrimidine]-2',4',6'(3'H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.