![(1R,5S)-3-(4-(9-hydroxy-9H-fluoren-9-yl)but-2-yn-1-yl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one structure](/static/products/121/1212447-94-3.png)
(1R,5S)-3-(4-(9-hydroxy-9H-fluoren-9-yl)but-2-yn-1-yl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one
TL;DR: (1R,5S)-3-(4-(9-hydroxy-9H-fluoren-9-yl)but-2-yn-1-yl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one (CAS 1212447-94-3) is a chemical compound with molecular formula C28H26N2O2 and molecular weight 422.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,9R)-11-[4-(9-hydroxyfluoren-9-yl)but-2-ynyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
Also Known As: (1R,5S)-3-(4-(9-hydroxy-9H-fluoren-9-yl)but-2-yn-1-yl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one
| Molecular Formula | C28H26N2O2 |
|---|---|
| Molecular Weight | 422.20 g/mol |
| LogP | 3.5774 |
| Topological Polar Surface Area | 45.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 422.19943 |
| Heavy Atoms | 32 |
| Complexity | 1266.993 |
Chemical Identifiers
| CAS Number | 1212447-94-3 |
|---|---|
| SMILES | C1[C@@H]2CN(C[C@@H]1C3=CC=CC(=O)N3C2)CC#CCC4(C5=CC=CC=C5C6=CC=CC=C64)O |
Product Overview
(1R,5S)-3-(4-(9-hydroxy-9H-fluoren-9-yl)but-2-yn-1-yl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one (CAS 1212447-94-3), with molecular formula C28H26N2O2 and molecular weight 422.20 g/mol. IUPAC: (1R,9R)-11-[4-(9-hydroxyfluoren-9-yl)but-2-ynyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one.
Chemical Property Profile of (1R,5S)-3-(4-(9-hydroxy-9H-fluoren-9-yl)but-2-yn-1-yl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one
Property Insights of (1R,5S)-3-(4-(9-hydroxy-9H-fluoren-9-yl)but-2-yn-1-yl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one
The XLogP value of 3.5774 indicates that (1R,5S)-3-(4-(9-hydroxy-9H-fluoren-9-yl)but-2-yn-1-yl)-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. With a topological polar surface area (TPSA) of 45.47 Ų, (1R,5S)-3-(4-(9-hydroxy-9H-fluoren-9-yl)but-2-yn-1-yl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1R,5S)-3-(4-(9-hydroxy-9H-fluoren-9-yl)but-2-yn-1-yl)-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 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,5S)-3-(4-(9-hydroxy-9H-fluoren-9-yl)but-2-yn-1-yl)-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-(4-(9-hydroxy-9H-fluoren-9-yl)but-2-yn-1-yl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one is 1212447-94-3.
What is the molecular formula of (1R,5S)-3-(4-(9-hydroxy-9H-fluoren-9-yl)but-2-yn-1-yl)-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-(4-(9-hydroxy-9H-fluoren-9-yl)but-2-yn-1-yl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one is C28H26N2O2.
What is the molecular weight of (1R,5S)-3-(4-(9-hydroxy-9H-fluoren-9-yl)but-2-yn-1-yl)-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-(4-(9-hydroxy-9H-fluoren-9-yl)but-2-yn-1-yl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one is 422.20 g/mol.
Where can I buy (1R,5S)-3-(4-(9-hydroxy-9H-fluoren-9-yl)but-2-yn-1-yl)-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-(4-(9-hydroxy-9H-fluoren-9-yl)but-2-yn-1-yl)-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-(4-(9-hydroxy-9H-fluoren-9-yl)but-2-yn-1-yl)-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-(4-(9-hydroxy-9H-fluoren-9-yl)but-2-yn-1-yl)-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.