A3691/0156622
TL;DR: A3691/0156622 (CAS 704878-00-2) is a chemical compound with molecular formula C20H18N4O6 and molecular weight 410.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methoxyphenyl)-1'-methyl-6'-nitrospiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione
Also Known As: A3691/0156622, 1-(4-methoxyphenyl)-1'-methyl-6'-nitro-1',4'-dihydro-2H,2'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(1H,3H)-trione, 1-(4-methoxyphenyl)-1'-methyl-6'-nitro-2',4'-dihydro-1H,1'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(3H)-trione, 1-(4-methoxyphenyl)-1'-methyl-6'-nitrospiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione, 2-hydroxy-1-(4-methoxyphenyl)-1'-methyl-6'-nitro-1',4'-dihydro-2'H,4H-spiro[pyrimidine-5,3'-quinoline]-4,6(1H)-dione
| Molecular Formula | C20H18N4O6 |
|---|---|
| Molecular Weight | 410.12 g/mol |
| LogP | 1.8651 |
| Topological Polar Surface Area | 122.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 410.12262 |
| Heavy Atoms | 30 |
| Complexity | 1083.2043 |
Chemical Identifiers
| CAS Number | 704878-00-2 |
|---|---|
| SMILES | CN1CC2(CC3=C1C=CC(=C3)[N+](=O)[O-])C(=O)NC(=O)N(C2=O)C4=CC=C(C=C4)OC |
Product Overview
A3691/0156622 (CAS 704878-00-2), with molecular formula C20H18N4O6 and molecular weight 410.12 g/mol. IUPAC: 1-(4-methoxyphenyl)-1'-methyl-6'-nitrospiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione.
Chemical Property Profile of A3691/0156622
Property Insights of A3691/0156622
The XLogP value of 1.8651 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3691/0156622. The TPSA of 122.09 Ų falls within the moderate polarity range, balancing permeability and solubility for A3691/0156622. Following Lipinski's Rule of Five, A3691/0156622 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 A3691/0156622?
The CAS number of A3691/0156622 is 704878-00-2.
What is the molecular formula of A3691/0156622?
The molecular formula of A3691/0156622 is C20H18N4O6.
What is the molecular weight of A3691/0156622?
The molecular weight of A3691/0156622 is 410.12 g/mol.
Where can I buy A3691/0156622?
You can request a quote for A3691/0156622 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3691/0156622?
Yes, KEHONG BIO provides custom synthesis services for A3691/0156622 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.