![4-Nitro-N-[2,2,2-trichloro-1-(1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl)ethyl]benzamide structure](/static/products/1212/1212147-77-7.webp)
4-Nitro-N-[2,2,2-trichloro-1-(1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl)ethyl]benzamide
TL;DR: 4-Nitro-N-[2,2,2-trichloro-1-(1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl)ethyl]benzamide (CAS 1212147-77-7) is a chemical compound with molecular formula C20H19Cl3N4O4 and molecular weight 484.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-N-[2,2,2-trichloro-1-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]benzamide
Also Known As: 4-Nitro-N-[2,2,2-trichloro-1-(1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl)ethyl]benzamide
| Molecular Formula | C20H19Cl3N4O4 |
|---|---|
| Molecular Weight | 484.05 g/mol |
| LogP | 3.3019 |
| Topological Polar Surface Area | 97.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 484.04718 |
| Heavy Atoms | 31 |
| Complexity | 1067.33 |
Chemical Identifiers
| CAS Number | 1212147-77-7 |
|---|---|
| SMILES | C1C2CN(CC1C3=CC=CC(=O)N3C2)C(C(Cl)(Cl)Cl)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
4-Nitro-N-[2,2,2-trichloro-1-(1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl)ethyl]benzamide (CAS 1212147-77-7), with molecular formula C20H19Cl3N4O4 and molecular weight 484.05 g/mol. IUPAC: 4-nitro-N-[2,2,2-trichloro-1-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]benzamide.
Chemical Property Profile of 4-Nitro-N-[2,2,2-trichloro-1-(1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl)ethyl]benzamide
Property Insights of 4-Nitro-N-[2,2,2-trichloro-1-(1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl)ethyl]benzamide
The XLogP value of 3.3019 indicates that 4-Nitro-N-[2,2,2-trichloro-1-(1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl)ethyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitro-N-[2,2,2-trichloro-1-(1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl)ethyl]benzamide. Following Lipinski's Rule of Five, 4-Nitro-N-[2,2,2-trichloro-1-(1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl)ethyl]benzamide 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 4-Nitro-N-[2,2,2-trichloro-1-(1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl)ethyl]benzamide?
The CAS number of 4-Nitro-N-[2,2,2-trichloro-1-(1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl)ethyl]benzamide is 1212147-77-7.
What is the molecular formula of 4-Nitro-N-[2,2,2-trichloro-1-(1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl)ethyl]benzamide?
The molecular formula of 4-Nitro-N-[2,2,2-trichloro-1-(1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl)ethyl]benzamide is C20H19Cl3N4O4.
What is the molecular weight of 4-Nitro-N-[2,2,2-trichloro-1-(1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl)ethyl]benzamide?
The molecular weight of 4-Nitro-N-[2,2,2-trichloro-1-(1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl)ethyl]benzamide is 484.05 g/mol.
Where can I buy 4-Nitro-N-[2,2,2-trichloro-1-(1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl)ethyl]benzamide?
You can request a quote for 4-Nitro-N-[2,2,2-trichloro-1-(1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl)ethyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitro-N-[2,2,2-trichloro-1-(1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl)ethyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitro-N-[2,2,2-trichloro-1-(1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl)ethyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.