![1'-(2-chlorobenzyl)-2'-hydroxy-9-methyl-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[benzo[g]pyrido[1,2-a][1,8]naphthyridine-5,5'-pyrimidine]-4',6'(1'H)-dione structure](/static/products/879/879460-54-5.png)
1'-(2-chlorobenzyl)-2'-hydroxy-9-methyl-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[benzo[g]pyrido[1,2-a][1,8]naphthyridine-5,5'-pyrimidine]-4',6'(1'H)-dione
TL;DR: 1'-(2-chlorobenzyl)-2'-hydroxy-9-methyl-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[benzo[g]pyrido[1,2-a][1,8]naphthyridine-5,5'-pyrimidine]-4',6'(1'H)-dione (CAS 879460-54-5) is a chemical compound with molecular formula C27H25ClN4O3 and molecular weight 488.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1'-[(2-chlorophenyl)methyl]-9-methylspiro[1,2,3,4,4a,6-hexahydroquinolino[3,2-c]quinolizine-5,5'-1,3-diazinane]-2',4',6'-trione
Also Known As: 1'-(2-chlorobenzyl)-2'-hydroxy-9-methyl-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[benzo[g]pyrido[1,2-a][1,8]naphthyridine-5,5'-pyrimidine]-4',6'(1'H)-dione, 1'-(2-chlorobenzyl)-9-methyl-1,2,3,4,4a,6-hexahydro-1'H-spiro[benzo[g]pyrido[1,2-a][1,8]naphthyridine-5,5'-pyrimidine]-2',4',6'(3'H)-trione, 1'-[(2-chlorophenyl)methyl]-9-methylspiro[1,2,3,4,4a,6-hexahydroquinolino[3,2-c]quinolizine-5,5'-1,3-diazinane]-2',4',6'-trione
| Molecular Formula | C27H25ClN4O3 |
|---|---|
| Molecular Weight | 488.16 g/mol |
| LogP | 4.37662 |
| Topological Polar Surface Area | 82.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 488.16153 |
| Heavy Atoms | 35 |
| Complexity | 1406.4369 |
Chemical Identifiers
| CAS Number | 879460-54-5 |
|---|---|
| SMILES | CC1=CC2=CC3=C(N=C2C=C1)N4CCCCC4C5(C3)C(=O)NC(=O)N(C5=O)CC6=CC=CC=C6Cl |
Product Overview
1'-(2-chlorobenzyl)-2'-hydroxy-9-methyl-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[benzo[g]pyrido[1,2-a][1,8]naphthyridine-5,5'-pyrimidine]-4',6'(1'H)-dione (CAS 879460-54-5), with molecular formula C27H25ClN4O3 and molecular weight 488.16 g/mol. IUPAC: 1'-[(2-chlorophenyl)methyl]-9-methylspiro[1,2,3,4,4a,6-hexahydroquinolino[3,2-c]quinolizine-5,5'-1,3-diazinane]-2',4',6'-trione.
Chemical Property Profile of 1'-(2-chlorobenzyl)-2'-hydroxy-9-methyl-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[benzo[g]pyrido[1,2-a][1,8]naphthyridine-5,5'-pyrimidine]-4',6'(1'H)-dione
Property Insights of 1'-(2-chlorobenzyl)-2'-hydroxy-9-methyl-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[benzo[g]pyrido[1,2-a][1,8]naphthyridine-5,5'-pyrimidine]-4',6'(1'H)-dione
The XLogP value of 4.37662 indicates that 1'-(2-chlorobenzyl)-2'-hydroxy-9-methyl-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[benzo[g]pyrido[1,2-a][1,8]naphthyridine-5,5'-pyrimidine]-4',6'(1'H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 1'-(2-chlorobenzyl)-2'-hydroxy-9-methyl-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[benzo[g]pyrido[1,2-a][1,8]naphthyridine-5,5'-pyrimidine]-4',6'(1'H)-dione. Following Lipinski's Rule of Five, 1'-(2-chlorobenzyl)-2'-hydroxy-9-methyl-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[benzo[g]pyrido[1,2-a][1,8]naphthyridine-5,5'-pyrimidine]-4',6'(1'H)-dione has 1 hydrogen bond donor(s) and 5 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'-(2-chlorobenzyl)-2'-hydroxy-9-methyl-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[benzo[g]pyrido[1,2-a][1,8]naphthyridine-5,5'-pyrimidine]-4',6'(1'H)-dione?
The CAS number of 1'-(2-chlorobenzyl)-2'-hydroxy-9-methyl-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[benzo[g]pyrido[1,2-a][1,8]naphthyridine-5,5'-pyrimidine]-4',6'(1'H)-dione is 879460-54-5.
What is the molecular formula of 1'-(2-chlorobenzyl)-2'-hydroxy-9-methyl-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[benzo[g]pyrido[1,2-a][1,8]naphthyridine-5,5'-pyrimidine]-4',6'(1'H)-dione?
The molecular formula of 1'-(2-chlorobenzyl)-2'-hydroxy-9-methyl-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[benzo[g]pyrido[1,2-a][1,8]naphthyridine-5,5'-pyrimidine]-4',6'(1'H)-dione is C27H25ClN4O3.
What is the molecular weight of 1'-(2-chlorobenzyl)-2'-hydroxy-9-methyl-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[benzo[g]pyrido[1,2-a][1,8]naphthyridine-5,5'-pyrimidine]-4',6'(1'H)-dione?
The molecular weight of 1'-(2-chlorobenzyl)-2'-hydroxy-9-methyl-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[benzo[g]pyrido[1,2-a][1,8]naphthyridine-5,5'-pyrimidine]-4',6'(1'H)-dione is 488.16 g/mol.
Where can I buy 1'-(2-chlorobenzyl)-2'-hydroxy-9-methyl-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[benzo[g]pyrido[1,2-a][1,8]naphthyridine-5,5'-pyrimidine]-4',6'(1'H)-dione?
You can request a quote for 1'-(2-chlorobenzyl)-2'-hydroxy-9-methyl-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[benzo[g]pyrido[1,2-a][1,8]naphthyridine-5,5'-pyrimidine]-4',6'(1'H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1'-(2-chlorobenzyl)-2'-hydroxy-9-methyl-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[benzo[g]pyrido[1,2-a][1,8]naphthyridine-5,5'-pyrimidine]-4',6'(1'H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 1'-(2-chlorobenzyl)-2'-hydroxy-9-methyl-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[benzo[g]pyrido[1,2-a][1,8]naphthyridine-5,5'-pyrimidine]-4',6'(1'H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.