![3-((3-fluorophenyl)(6-hydroxythiazolo[3,2-b][1,2,4]triazol-5-yl)methyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one structure](/static/products/1005/1005258-69-4.webp)
3-((3-fluorophenyl)(6-hydroxythiazolo[3,2-b][1,2,4]triazol-5-yl)methyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one
TL;DR: 3-((3-fluorophenyl)(6-hydroxythiazolo[3,2-b][1,2,4]triazol-5-yl)methyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one (CAS 1005258-69-4) is a chemical compound with molecular formula C22H20FN5O2S and molecular weight 437.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-[(3-fluorophenyl)-(6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
Also Known As: 3-((3-fluorophenyl)(6-hydroxythiazolo[3,2-b][1,2,4]triazol-5-yl)methyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one, 11-[(3-fluorophenyl)({6-hydroxy-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-yl})methyl]-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-dien-6-one, 11-[(3-fluorophenyl)-(6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one, 11-[(m-fluorophenyl)(8-hydroxy-6-thia-1,2,4-triazabicyclo[3.3.0]octa-2,4,7-trien-7-yl)methyl]-7,11-diazatricyclo[7.3.1.0(2),]trideca-2,4-dien-6-one
| Molecular Formula | C22H20FN5O2S |
|---|---|
| Molecular Weight | 437.13 g/mol |
| LogP | 3.0059 |
| Topological Polar Surface Area | 75.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 437.13217 |
| Heavy Atoms | 31 |
| Complexity | 1345.1783 |
Chemical Identifiers
| CAS Number | 1005258-69-4 |
|---|---|
| SMILES | C1C2CN(CC1C3=CC=CC(=O)N3C2)C(C4=CC(=CC=C4)F)C5=C(N6C(=NC=N6)S5)O |
Product Overview
3-((3-fluorophenyl)(6-hydroxythiazolo[3,2-b][1,2,4]triazol-5-yl)methyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one (CAS 1005258-69-4), with molecular formula C22H20FN5O2S and molecular weight 437.13 g/mol. IUPAC: 11-[(3-fluorophenyl)-(6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one.
Chemical Property Profile of 3-((3-fluorophenyl)(6-hydroxythiazolo[3,2-b][1,2,4]triazol-5-yl)methyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one
Property Insights of 3-((3-fluorophenyl)(6-hydroxythiazolo[3,2-b][1,2,4]triazol-5-yl)methyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one
The XLogP value of 3.0059 indicates that 3-((3-fluorophenyl)(6-hydroxythiazolo[3,2-b][1,2,4]triazol-5-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 75.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((3-fluorophenyl)(6-hydroxythiazolo[3,2-b][1,2,4]triazol-5-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, 3-((3-fluorophenyl)(6-hydroxythiazolo[3,2-b][1,2,4]triazol-5-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), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-((3-fluorophenyl)(6-hydroxythiazolo[3,2-b][1,2,4]triazol-5-yl)methyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one?
The CAS number of 3-((3-fluorophenyl)(6-hydroxythiazolo[3,2-b][1,2,4]triazol-5-yl)methyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one is 1005258-69-4.
What is the molecular formula of 3-((3-fluorophenyl)(6-hydroxythiazolo[3,2-b][1,2,4]triazol-5-yl)methyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one?
The molecular formula of 3-((3-fluorophenyl)(6-hydroxythiazolo[3,2-b][1,2,4]triazol-5-yl)methyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one is C22H20FN5O2S.
What is the molecular weight of 3-((3-fluorophenyl)(6-hydroxythiazolo[3,2-b][1,2,4]triazol-5-yl)methyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one?
The molecular weight of 3-((3-fluorophenyl)(6-hydroxythiazolo[3,2-b][1,2,4]triazol-5-yl)methyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one is 437.13 g/mol.
Where can I buy 3-((3-fluorophenyl)(6-hydroxythiazolo[3,2-b][1,2,4]triazol-5-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 3-((3-fluorophenyl)(6-hydroxythiazolo[3,2-b][1,2,4]triazol-5-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 3-((3-fluorophenyl)(6-hydroxythiazolo[3,2-b][1,2,4]triazol-5-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 3-((3-fluorophenyl)(6-hydroxythiazolo[3,2-b][1,2,4]triazol-5-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.