![N-((S)-1-oxo-1-((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)-3-phenylpropan-2-yl)-2-phenoxyacetamide structure](/static/products/956/956050-47-8.png)
N-((S)-1-oxo-1-((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)-3-phenylpropan-2-yl)-2-phenoxyacetamide
TL;DR: N-((S)-1-oxo-1-((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)-3-phenylpropan-2-yl)-2-phenoxyacetamide (CAS 956050-47-8) is a chemical compound with molecular formula C28H29N3O4 and molecular weight 471.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2S)-1-oxo-1-[(1S,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-3-phenylpropan-2-yl]-2-phenoxyacetamide
Also Known As: N-((S)-1-oxo-1-((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)-3-phenylpropan-2-yl)-2-phenoxyacetamide, N-{(2S)-1-oxo-1-[(5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]-3-phenylpropan-2-yl}-2-phenoxyacetamide
| Molecular Formula | C28H29N3O4 |
|---|---|
| Molecular Weight | 471.22 g/mol |
| LogP | 2.6005 |
| Topological Polar Surface Area | 80.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 471.21582 |
| Heavy Atoms | 35 |
| Complexity | 1241.817 |
Chemical Identifiers
| CAS Number | 956050-47-8 |
|---|---|
| SMILES | C1[C@H]2CN(C[C@H]1C3=CC=CC(=O)N3C2)C(=O)[C@H](CC4=CC=CC=C4)NC(=O)COC5=CC=CC=C5 |
Product Overview
N-((S)-1-oxo-1-((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)-3-phenylpropan-2-yl)-2-phenoxyacetamide (CAS 956050-47-8), with molecular formula C28H29N3O4 and molecular weight 471.22 g/mol. IUPAC: N-[(2S)-1-oxo-1-[(1S,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-3-phenylpropan-2-yl]-2-phenoxyacetamide.
Chemical Property Profile of N-((S)-1-oxo-1-((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)-3-phenylpropan-2-yl)-2-phenoxyacetamide
Property Insights of N-((S)-1-oxo-1-((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)-3-phenylpropan-2-yl)-2-phenoxyacetamide
The XLogP value of 2.6005 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-((S)-1-oxo-1-((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)-3-phenylpropan-2-yl)-2-phenoxyacetamide. The TPSA of 80.64 Ų falls within the moderate polarity range, balancing permeability and solubility for N-((S)-1-oxo-1-((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)-3-phenylpropan-2-yl)-2-phenoxyacetamide. Following Lipinski's Rule of Five, N-((S)-1-oxo-1-((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)-3-phenylpropan-2-yl)-2-phenoxyacetamide has 1 hydrogen bond donor(s) and 4 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 N-((S)-1-oxo-1-((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)-3-phenylpropan-2-yl)-2-phenoxyacetamide?
The CAS number of N-((S)-1-oxo-1-((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)-3-phenylpropan-2-yl)-2-phenoxyacetamide is 956050-47-8.
What is the molecular formula of N-((S)-1-oxo-1-((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)-3-phenylpropan-2-yl)-2-phenoxyacetamide?
The molecular formula of N-((S)-1-oxo-1-((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)-3-phenylpropan-2-yl)-2-phenoxyacetamide is C28H29N3O4.
What is the molecular weight of N-((S)-1-oxo-1-((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)-3-phenylpropan-2-yl)-2-phenoxyacetamide?
The molecular weight of N-((S)-1-oxo-1-((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)-3-phenylpropan-2-yl)-2-phenoxyacetamide is 471.22 g/mol.
Where can I buy N-((S)-1-oxo-1-((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)-3-phenylpropan-2-yl)-2-phenoxyacetamide?
You can request a quote for N-((S)-1-oxo-1-((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)-3-phenylpropan-2-yl)-2-phenoxyacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-((S)-1-oxo-1-((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)-3-phenylpropan-2-yl)-2-phenoxyacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-((S)-1-oxo-1-((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)-3-phenylpropan-2-yl)-2-phenoxyacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.