A3691/0156625
TL;DR: A3691/0156625 (CAS 1005131-07-6) is a chemical compound with molecular formula C24H24N4O6 and molecular weight 464.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1'-(4-methoxyphenyl)-3-methyl-8-nitrospiro[1,2,3,4,4a,6-hexahydrobenzo[c]quinolizine-5,5'-1,3-diazinane]-2',4',6'-trione
Also Known As: A3691/0156625, 1'-(4-methoxyphenyl)-3-methyl-8-nitro-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrido[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione, 1'-(4-methoxyphenyl)-3-methyl-8-nitro-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrido[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione, 1'-(4-methoxyphenyl)-3-methyl-8-nitrospiro[1,2,3,4,4a,6-hexahydrobenzo[c]quinolizine-5,5'-1,3-diazinane]-2',4',6'-trione, 2'-hydroxy-1'-(4-methoxyphenyl)-3-methyl-8-nitro-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrido[1,2-a]quinoline-5,5'-pyrimidine]-4',6'(1'H)-dione
| Molecular Formula | C24H24N4O6 |
|---|---|
| Molecular Weight | 464.17 g/mol |
| LogP | 3.0338 |
| Topological Polar Surface Area | 122.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 464.1696 |
| Heavy Atoms | 34 |
| Complexity | 1212.444 |
Chemical Identifiers
| CAS Number | 1005131-07-6 |
|---|---|
| SMILES | CC1CCN2C(C1)C3(CC4=C2C=CC(=C4)[N+](=O)[O-])C(=O)NC(=O)N(C3=O)C5=CC=C(C=C5)OC |
Product Overview
A3691/0156625 (CAS 1005131-07-6), with molecular formula C24H24N4O6 and molecular weight 464.17 g/mol. IUPAC: 1'-(4-methoxyphenyl)-3-methyl-8-nitrospiro[1,2,3,4,4a,6-hexahydrobenzo[c]quinolizine-5,5'-1,3-diazinane]-2',4',6'-trione.
Chemical Property Profile of A3691/0156625
Property Insights of A3691/0156625
The XLogP value of 3.0338 indicates that A3691/0156625 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.09 Ų falls within the moderate polarity range, balancing permeability and solubility for A3691/0156625. Following Lipinski's Rule of Five, A3691/0156625 has 1 hydrogen bond donor(s) and 7 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 A3691/0156625?
The CAS number of A3691/0156625 is 1005131-07-6.
What is the molecular formula of A3691/0156625?
The molecular formula of A3691/0156625 is C24H24N4O6.
What is the molecular weight of A3691/0156625?
The molecular weight of A3691/0156625 is 464.17 g/mol.
Where can I buy A3691/0156625?
You can request a quote for A3691/0156625 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3691/0156625?
Yes, KEHONG BIO provides custom synthesis services for A3691/0156625 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.