![(1R,5S)-3-(2-((4-hydroxy-5-isopentyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio)acetyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one structure](/static/products/121/1212360-99-0.png)
(1R,5S)-3-(2-((4-hydroxy-5-isopentyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio)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-hydroxy-5-isopentyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio)acetyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one (CAS 1212360-99-0) is a chemical compound with molecular formula C22H28N4O4S and molecular weight 444.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,9S)-11-[2-[[4-hydroxy-5-(3-methylbutyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
Also Known As: (1R,5S)-3-(2-((4-hydroxy-5-isopentyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio)acetyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one
| Molecular Formula | C22H28N4O4S |
|---|---|
| Molecular Weight | 444.18 g/mol |
| LogP | 1.9638 |
| Topological Polar Surface Area | 108.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 444.18314 |
| Heavy Atoms | 31 |
| Complexity | 1093.6489 |
Chemical Identifiers
| CAS Number | 1212360-99-0 |
|---|---|
| SMILES | CC(C)CCC1=C(N=C(NC1=O)SCC(=O)N2C[C@@H]3C[C@@H](C2)C4=CC=CC(=O)N4C3)O |
Product Overview
(1R,5S)-3-(2-((4-hydroxy-5-isopentyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio)acetyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one (CAS 1212360-99-0), with molecular formula C22H28N4O4S and molecular weight 444.18 g/mol. IUPAC: (1S,9S)-11-[2-[[4-hydroxy-5-(3-methylbutyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one.
Chemical Property Profile of (1R,5S)-3-(2-((4-hydroxy-5-isopentyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio)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-hydroxy-5-isopentyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio)acetyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one
The XLogP value of 1.9638 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1R,5S)-3-(2-((4-hydroxy-5-isopentyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio)acetyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one. The TPSA of 108.29 Ų falls within the moderate polarity range, balancing permeability and solubility for (1R,5S)-3-(2-((4-hydroxy-5-isopentyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio)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-hydroxy-5-isopentyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio)acetyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one has 2 hydrogen bond donor(s) and 6 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-hydroxy-5-isopentyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio)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-hydroxy-5-isopentyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio)acetyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one is 1212360-99-0.
What is the molecular formula of (1R,5S)-3-(2-((4-hydroxy-5-isopentyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio)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-hydroxy-5-isopentyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio)acetyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one is C22H28N4O4S.
What is the molecular weight of (1R,5S)-3-(2-((4-hydroxy-5-isopentyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio)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-hydroxy-5-isopentyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio)acetyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one is 444.18 g/mol.
Where can I buy (1R,5S)-3-(2-((4-hydroxy-5-isopentyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio)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-hydroxy-5-isopentyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio)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-hydroxy-5-isopentyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio)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-hydroxy-5-isopentyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio)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.