![(1R,1'R,5S,5'S)-3,3'-(2-Hydroxy-1,3-propanediyl)bis[1,2,3,4,5,6-hexahydro-1,5-methano-8H-pyrido[1,2-a][1,5]diazocin-8-one] structure](/static/products/4979/4979-20-8.webp)
(1R,1'R,5S,5'S)-3,3'-(2-Hydroxy-1,3-propanediyl)bis[1,2,3,4,5,6-hexahydro-1,5-methano-8H-pyrido[1,2-a][1,5]diazocin-8-one]
TL;DR: (1R,1'R,5S,5'S)-3,3'-(2-Hydroxy-1,3-propanediyl)bis[1,2,3,4,5,6-hexahydro-1,5-methano-8H-pyrido[1,2-a][1,5]diazocin-8-one] (CAS 4979-20-8) is a chemical compound with molecular formula C25H32N4O3 and molecular weight 436.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-[2-hydroxy-3-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)propyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
Also Known As: (1R,1'R,5S,5'S)-3,3'-(2-Hydroxy-1,3-propanediyl)bis[1,2,3,4,5,6-hexahydro-1,5-methano-8H-pyrido[1,2-a][1,5]diazocin-8-one], (1R,1a(2)R,5S,5a(2)S)-3,3a(2)-(2-Hydroxy-1,3-propanediyl)bis[1,2,3,4,5,6-hexahydro-1,5-methano-8H-pyrido[1,2-a][1,5]diazocin-8-one]
| Molecular Formula | C25H32N4O3 |
|---|---|
| Molecular Weight | 436.25 g/mol |
| LogP | 0.9093 |
| Topological Polar Surface Area | 70.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 436.24744 |
| Heavy Atoms | 32 |
| Complexity | 1037.1555 |
Chemical Identifiers
| CAS Number | 4979-20-8 |
|---|---|
| SMILES | C1C2CN(CC1C3=CC=CC(=O)N3C2)CC(CN4CC5CC(C4)C6=CC=CC(=O)N6C5)O |
Product Overview
(1R,1'R,5S,5'S)-3,3'-(2-Hydroxy-1,3-propanediyl)bis[1,2,3,4,5,6-hexahydro-1,5-methano-8H-pyrido[1,2-a][1,5]diazocin-8-one] (CAS 4979-20-8), with molecular formula C25H32N4O3 and molecular weight 436.25 g/mol. IUPAC: 11-[2-hydroxy-3-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)propyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one.
Chemical Property Profile of (1R,1'R,5S,5'S)-3,3'-(2-Hydroxy-1,3-propanediyl)bis[1,2,3,4,5,6-hexahydro-1,5-methano-8H-pyrido[1,2-a][1,5]diazocin-8-one]
Property Insights of (1R,1'R,5S,5'S)-3,3'-(2-Hydroxy-1,3-propanediyl)bis[1,2,3,4,5,6-hexahydro-1,5-methano-8H-pyrido[1,2-a][1,5]diazocin-8-one]
The XLogP value of 0.9093 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1R,1'R,5S,5'S)-3,3'-(2-Hydroxy-1,3-propanediyl)bis[1,2,3,4,5,6-hexahydro-1,5-methano-8H-pyrido[1,2-a][1,5]diazocin-8-one]. The TPSA of 70.71 Ų falls within the moderate polarity range, balancing permeability and solubility for (1R,1'R,5S,5'S)-3,3'-(2-Hydroxy-1,3-propanediyl)bis[1,2,3,4,5,6-hexahydro-1,5-methano-8H-pyrido[1,2-a][1,5]diazocin-8-one]. Following Lipinski's Rule of Five, (1R,1'R,5S,5'S)-3,3'-(2-Hydroxy-1,3-propanediyl)bis[1,2,3,4,5,6-hexahydro-1,5-methano-8H-pyrido[1,2-a][1,5]diazocin-8-one] 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 (1R,1'R,5S,5'S)-3,3'-(2-Hydroxy-1,3-propanediyl)bis[1,2,3,4,5,6-hexahydro-1,5-methano-8H-pyrido[1,2-a][1,5]diazocin-8-one]?
The CAS number of (1R,1'R,5S,5'S)-3,3'-(2-Hydroxy-1,3-propanediyl)bis[1,2,3,4,5,6-hexahydro-1,5-methano-8H-pyrido[1,2-a][1,5]diazocin-8-one] is 4979-20-8.
What is the molecular formula of (1R,1'R,5S,5'S)-3,3'-(2-Hydroxy-1,3-propanediyl)bis[1,2,3,4,5,6-hexahydro-1,5-methano-8H-pyrido[1,2-a][1,5]diazocin-8-one]?
The molecular formula of (1R,1'R,5S,5'S)-3,3'-(2-Hydroxy-1,3-propanediyl)bis[1,2,3,4,5,6-hexahydro-1,5-methano-8H-pyrido[1,2-a][1,5]diazocin-8-one] is C25H32N4O3.
What is the molecular weight of (1R,1'R,5S,5'S)-3,3'-(2-Hydroxy-1,3-propanediyl)bis[1,2,3,4,5,6-hexahydro-1,5-methano-8H-pyrido[1,2-a][1,5]diazocin-8-one]?
The molecular weight of (1R,1'R,5S,5'S)-3,3'-(2-Hydroxy-1,3-propanediyl)bis[1,2,3,4,5,6-hexahydro-1,5-methano-8H-pyrido[1,2-a][1,5]diazocin-8-one] is 436.25 g/mol.
Where can I buy (1R,1'R,5S,5'S)-3,3'-(2-Hydroxy-1,3-propanediyl)bis[1,2,3,4,5,6-hexahydro-1,5-methano-8H-pyrido[1,2-a][1,5]diazocin-8-one]?
You can request a quote for (1R,1'R,5S,5'S)-3,3'-(2-Hydroxy-1,3-propanediyl)bis[1,2,3,4,5,6-hexahydro-1,5-methano-8H-pyrido[1,2-a][1,5]diazocin-8-one] directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1R,1'R,5S,5'S)-3,3'-(2-Hydroxy-1,3-propanediyl)bis[1,2,3,4,5,6-hexahydro-1,5-methano-8H-pyrido[1,2-a][1,5]diazocin-8-one]?
Yes, KEHONG BIO provides custom synthesis services for (1R,1'R,5S,5'S)-3,3'-(2-Hydroxy-1,3-propanediyl)bis[1,2,3,4,5,6-hexahydro-1,5-methano-8H-pyrido[1,2-a][1,5]diazocin-8-one] and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.