![(1R,5R)-N-(3-((3,5-dimethylphenyl)amino)-3-oxopropyl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carboxamide structure](/static/products/121/1212366-61-4.png)
(1R,5R)-N-(3-((3,5-dimethylphenyl)amino)-3-oxopropyl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carboxamide
TL;DR: (1R,5R)-N-(3-((3,5-dimethylphenyl)amino)-3-oxopropyl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carboxamide (CAS 1212366-61-4) is a chemical compound with molecular formula C23H28N4O3 and molecular weight 408.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,9S)-N-[3-(3,5-dimethylanilino)-3-oxopropyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide
Also Known As: (1R,5R)-N-(3-((3,5-dimethylphenyl)amino)-3-oxopropyl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carboxamide, (1S)-N-{3-[(3,5-dimethylphenyl)amino]-3-oxopropyl}-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide
| Molecular Formula | C23H28N4O3 |
|---|---|
| Molecular Weight | 408.22 g/mol |
| LogP | 2.62264 |
| Topological Polar Surface Area | 83.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.21616 |
| Heavy Atoms | 30 |
| Complexity | 1009.0986 |
Chemical Identifiers
| CAS Number | 1212366-61-4 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)NC(=O)CCNC(=O)N2C[C@H]3C[C@@H](C2)C4=CC=CC(=O)N4C3)C |
Product Overview
(1R,5R)-N-(3-((3,5-dimethylphenyl)amino)-3-oxopropyl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carboxamide (CAS 1212366-61-4), with molecular formula C23H28N4O3 and molecular weight 408.22 g/mol. IUPAC: (1S,9S)-N-[3-(3,5-dimethylanilino)-3-oxopropyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide.
Chemical Property Profile of (1R,5R)-N-(3-((3,5-dimethylphenyl)amino)-3-oxopropyl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carboxamide
Property Insights of (1R,5R)-N-(3-((3,5-dimethylphenyl)amino)-3-oxopropyl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carboxamide
The XLogP value of 2.62264 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1R,5R)-N-(3-((3,5-dimethylphenyl)amino)-3-oxopropyl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carboxamide. The TPSA of 83.44 Ų falls within the moderate polarity range, balancing permeability and solubility for (1R,5R)-N-(3-((3,5-dimethylphenyl)amino)-3-oxopropyl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carboxamide. Following Lipinski's Rule of Five, (1R,5R)-N-(3-((3,5-dimethylphenyl)amino)-3-oxopropyl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carboxamide has 2 hydrogen bond donor(s) and 3 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 (1R,5R)-N-(3-((3,5-dimethylphenyl)amino)-3-oxopropyl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carboxamide?
The CAS number of (1R,5R)-N-(3-((3,5-dimethylphenyl)amino)-3-oxopropyl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carboxamide is 1212366-61-4.
What is the molecular formula of (1R,5R)-N-(3-((3,5-dimethylphenyl)amino)-3-oxopropyl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carboxamide?
The molecular formula of (1R,5R)-N-(3-((3,5-dimethylphenyl)amino)-3-oxopropyl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carboxamide is C23H28N4O3.
What is the molecular weight of (1R,5R)-N-(3-((3,5-dimethylphenyl)amino)-3-oxopropyl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carboxamide?
The molecular weight of (1R,5R)-N-(3-((3,5-dimethylphenyl)amino)-3-oxopropyl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carboxamide is 408.22 g/mol.
Where can I buy (1R,5R)-N-(3-((3,5-dimethylphenyl)amino)-3-oxopropyl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carboxamide?
You can request a quote for (1R,5R)-N-(3-((3,5-dimethylphenyl)amino)-3-oxopropyl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1R,5R)-N-(3-((3,5-dimethylphenyl)amino)-3-oxopropyl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for (1R,5R)-N-(3-((3,5-dimethylphenyl)amino)-3-oxopropyl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.