![(1R,5S)-3-(2-((4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)acetyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one structure](/static/products/956/956508-68-2.png)
(1R,5S)-3-(2-((4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)acetyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one
TL;DR: (1R,5S)-3-(2-((4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)acetyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one (CAS 956508-68-2) is a chemical compound with molecular formula C24H24N2O5 and molecular weight 420.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,9R)-11-[2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
Also Known As: (1R,5S)-3-(2-((4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)acetyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one, (1S,5R)-3-{[(4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
| Molecular Formula | C24H24N2O5 |
|---|---|
| Molecular Weight | 420.17 g/mol |
| LogP | 2.59624 |
| Topological Polar Surface Area | 81.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 420.16852 |
| Heavy Atoms | 31 |
| Complexity | 1305.548 |
Chemical Identifiers
| CAS Number | 956508-68-2 |
|---|---|
| SMILES | CC1=CC(=O)OC2=C1C=CC(=C2C)OCC(=O)N3C[C@H]4C[C@@H](C3)C5=CC=CC(=O)N5C4 |
Product Overview
(1R,5S)-3-(2-((4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)acetyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one (CAS 956508-68-2), with molecular formula C24H24N2O5 and molecular weight 420.17 g/mol. IUPAC: (1S,9R)-11-[2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one.
Chemical Property Profile of (1R,5S)-3-(2-((4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)acetyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one
Property Insights of (1R,5S)-3-(2-((4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)acetyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one
The XLogP value of 2.59624 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1R,5S)-3-(2-((4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)acetyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one. The TPSA of 81.75 Ų falls within the moderate polarity range, balancing permeability and solubility for (1R,5S)-3-(2-((4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)acetyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one. Following Lipinski's Rule of Five, (1R,5S)-3-(2-((4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)acetyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one has 0 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 (1R,5S)-3-(2-((4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)acetyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one?
The CAS number of (1R,5S)-3-(2-((4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)acetyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one is 956508-68-2.
What is the molecular formula of (1R,5S)-3-(2-((4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)acetyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one?
The molecular formula of (1R,5S)-3-(2-((4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)acetyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one is C24H24N2O5.
What is the molecular weight of (1R,5S)-3-(2-((4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)acetyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one?
The molecular weight of (1R,5S)-3-(2-((4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)acetyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one is 420.17 g/mol.
Where can I buy (1R,5S)-3-(2-((4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)acetyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one?
You can request a quote for (1R,5S)-3-(2-((4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)acetyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1R,5S)-3-(2-((4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)acetyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for (1R,5S)-3-(2-((4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)acetyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.