![(1R,5S)-3-((6-ethyl-7-hydroxy-2-methyl-3-(1-methyl-1H-benzo[d]imidazol-2-yl)-4-oxo-4H-chromen-8-yl)methyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one structure](/static/products/955/955094-84-5.png)
(1R,5S)-3-((6-ethyl-7-hydroxy-2-methyl-3-(1-methyl-1H-benzo[d]imidazol-2-yl)-4-oxo-4H-chromen-8-yl)methyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one
TL;DR: (1R,5S)-3-((6-ethyl-7-hydroxy-2-methyl-3-(1-methyl-1H-benzo[d]imidazol-2-yl)-4-oxo-4H-chromen-8-yl)methyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one (CAS 955094-84-5) is a chemical compound with molecular formula C32H32N4O4 and molecular weight 536.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,9S)-11-[[6-ethyl-7-hydroxy-2-methyl-3-(1-methylbenzimidazol-2-yl)-4-oxochromen-8-yl]methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
Also Known As: (1R,5S)-3-((6-ethyl-7-hydroxy-2-methyl-3-(1-methyl-1H-benzo[d]imidazol-2-yl)-4-oxo-4H-chromen-8-yl)methyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one, 8-[((9S,1R)-6-oxo-7,11-diazatricyclo[7.3.1.0<2,7>]trideca-2,4-dien-11-yl)methy l]-6-ethyl-7-hydroxy-2-methyl-3-(1-methylbenzimidazol-2-yl)chromen-4-one
| Molecular Formula | C32H32N4O4 |
|---|---|
| Molecular Weight | 536.24 g/mol |
| LogP | 4.70412 |
| Topological Polar Surface Area | 93.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 536.2424 |
| Heavy Atoms | 40 |
| Complexity | 1932.1536 |
Chemical Identifiers
| CAS Number | 955094-84-5 |
|---|---|
| SMILES | CCC1=CC2=C(C(=C1O)CN3C[C@@H]4C[C@H](C3)C5=CC=CC(=O)N5C4)OC(=C(C2=O)C6=NC7=CC=CC=C7N6C)C |
Product Overview
(1R,5S)-3-((6-ethyl-7-hydroxy-2-methyl-3-(1-methyl-1H-benzo[d]imidazol-2-yl)-4-oxo-4H-chromen-8-yl)methyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one (CAS 955094-84-5), with molecular formula C32H32N4O4 and molecular weight 536.24 g/mol. IUPAC: (1R,9S)-11-[[6-ethyl-7-hydroxy-2-methyl-3-(1-methylbenzimidazol-2-yl)-4-oxochromen-8-yl]methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one.
Chemical Property Profile of (1R,5S)-3-((6-ethyl-7-hydroxy-2-methyl-3-(1-methyl-1H-benzo[d]imidazol-2-yl)-4-oxo-4H-chromen-8-yl)methyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one
Property Insights of (1R,5S)-3-((6-ethyl-7-hydroxy-2-methyl-3-(1-methyl-1H-benzo[d]imidazol-2-yl)-4-oxo-4H-chromen-8-yl)methyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one
The XLogP value of 4.70412 indicates that (1R,5S)-3-((6-ethyl-7-hydroxy-2-methyl-3-(1-methyl-1H-benzo[d]imidazol-2-yl)-4-oxo-4H-chromen-8-yl)methyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (1R,5S)-3-((6-ethyl-7-hydroxy-2-methyl-3-(1-methyl-1H-benzo[d]imidazol-2-yl)-4-oxo-4H-chromen-8-yl)methyl)-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-((6-ethyl-7-hydroxy-2-methyl-3-(1-methyl-1H-benzo[d]imidazol-2-yl)-4-oxo-4H-chromen-8-yl)methyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (1R,5S)-3-((6-ethyl-7-hydroxy-2-methyl-3-(1-methyl-1H-benzo[d]imidazol-2-yl)-4-oxo-4H-chromen-8-yl)methyl)-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-((6-ethyl-7-hydroxy-2-methyl-3-(1-methyl-1H-benzo[d]imidazol-2-yl)-4-oxo-4H-chromen-8-yl)methyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one is 955094-84-5.
What is the molecular formula of (1R,5S)-3-((6-ethyl-7-hydroxy-2-methyl-3-(1-methyl-1H-benzo[d]imidazol-2-yl)-4-oxo-4H-chromen-8-yl)methyl)-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-((6-ethyl-7-hydroxy-2-methyl-3-(1-methyl-1H-benzo[d]imidazol-2-yl)-4-oxo-4H-chromen-8-yl)methyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one is C32H32N4O4.
What is the molecular weight of (1R,5S)-3-((6-ethyl-7-hydroxy-2-methyl-3-(1-methyl-1H-benzo[d]imidazol-2-yl)-4-oxo-4H-chromen-8-yl)methyl)-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-((6-ethyl-7-hydroxy-2-methyl-3-(1-methyl-1H-benzo[d]imidazol-2-yl)-4-oxo-4H-chromen-8-yl)methyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one is 536.24 g/mol.
Where can I buy (1R,5S)-3-((6-ethyl-7-hydroxy-2-methyl-3-(1-methyl-1H-benzo[d]imidazol-2-yl)-4-oxo-4H-chromen-8-yl)methyl)-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-((6-ethyl-7-hydroxy-2-methyl-3-(1-methyl-1H-benzo[d]imidazol-2-yl)-4-oxo-4H-chromen-8-yl)methyl)-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-((6-ethyl-7-hydroxy-2-methyl-3-(1-methyl-1H-benzo[d]imidazol-2-yl)-4-oxo-4H-chromen-8-yl)methyl)-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-((6-ethyl-7-hydroxy-2-methyl-3-(1-methyl-1H-benzo[d]imidazol-2-yl)-4-oxo-4H-chromen-8-yl)methyl)-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.