![1,1'-(8-methyl-1-(2-nitrophenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-diyl)diethanone structure](/static/products/6702/670262-93-8.webp)
1,1'-(8-methyl-1-(2-nitrophenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-diyl)diethanone
TL;DR: 1,1'-(8-methyl-1-(2-nitrophenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-diyl)diethanone (CAS 670262-93-8) is a chemical compound with molecular formula C21H18N4O4S2 and molecular weight 454.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-acetyl-8-methyl-4-(2-nitrophenyl)-9-phenyl-1,6-dithia-3,4,9-triazaspiro[4.4]nona-2,7-dien-7-yl]ethanone
Also Known As: 1,1'-(8-methyl-1-(2-nitrophenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-diyl)diethanone, 1,1'-[8-methyl-1-(2-nitrophenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-diyl]diethanone, 1-[2-acetyl-8-methyl-4-(2-nitrophenyl)-9-phenyl-1,6-dithia-3,4,9-triazaspiro[4.4]nona-2,7-dien-7-yl]ethanone, 1-[8-acetyl-2-methyl-6-(2-nitrophenyl)-1-phenyl-4,9-dithia-1,6,7-triazaspiro[4.4]nona-2,7-dien-3-yl]ethanone
| Molecular Formula | C21H18N4O4S2 |
|---|---|
| Molecular Weight | 454.08 g/mol |
| LogP | 4.7357 |
| Topological Polar Surface Area | 96.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 454.07693 |
| Heavy Atoms | 31 |
| Complexity | 1164.9795 |
Chemical Identifiers
| CAS Number | 670262-93-8 |
|---|---|
| SMILES | CC1=C(SC2(N1C3=CC=CC=C3)N(N=C(S2)C(=O)C)C4=CC=CC=C4[N+](=O)[O-])C(=O)C |
Product Overview
1,1'-(8-methyl-1-(2-nitrophenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-diyl)diethanone (CAS 670262-93-8), with molecular formula C21H18N4O4S2 and molecular weight 454.08 g/mol. IUPAC: 1-[2-acetyl-8-methyl-4-(2-nitrophenyl)-9-phenyl-1,6-dithia-3,4,9-triazaspiro[4.4]nona-2,7-dien-7-yl]ethanone.
Chemical Property Profile of 1,1'-(8-methyl-1-(2-nitrophenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-diyl)diethanone
Property Insights of 1,1'-(8-methyl-1-(2-nitrophenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-diyl)diethanone
The XLogP value of 4.7357 indicates that 1,1'-(8-methyl-1-(2-nitrophenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-diyl)diethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1'-(8-methyl-1-(2-nitrophenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-diyl)diethanone. Following Lipinski's Rule of Five, 1,1'-(8-methyl-1-(2-nitrophenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-diyl)diethanone has 0 hydrogen bond donor(s) and 9 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 1,1'-(8-methyl-1-(2-nitrophenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-diyl)diethanone?
The CAS number of 1,1'-(8-methyl-1-(2-nitrophenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-diyl)diethanone is 670262-93-8.
What is the molecular formula of 1,1'-(8-methyl-1-(2-nitrophenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-diyl)diethanone?
The molecular formula of 1,1'-(8-methyl-1-(2-nitrophenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-diyl)diethanone is C21H18N4O4S2.
What is the molecular weight of 1,1'-(8-methyl-1-(2-nitrophenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-diyl)diethanone?
The molecular weight of 1,1'-(8-methyl-1-(2-nitrophenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-diyl)diethanone is 454.08 g/mol.
Where can I buy 1,1'-(8-methyl-1-(2-nitrophenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-diyl)diethanone?
You can request a quote for 1,1'-(8-methyl-1-(2-nitrophenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-diyl)diethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-(8-methyl-1-(2-nitrophenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-diyl)diethanone?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-(8-methyl-1-(2-nitrophenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-diyl)diethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.