![2-[5-(3-fluorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(tricyclo[3.3.1.1~3,7~]dec-1-yl)acetamide structure](/static/products/1024/1024285-53-7.webp)
2-[5-(3-fluorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(tricyclo[3.3.1.1~3,7~]dec-1-yl)acetamide
TL;DR: 2-[5-(3-fluorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(tricyclo[3.3.1.1~3,7~]dec-1-yl)acetamide (CAS 1024285-53-7) is a chemical compound with molecular formula C22H24FN5O3 and molecular weight 425.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-adamantyl)-2-[5-(3-fluorophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d]triazol-3-yl]acetamide
Also Known As: 2-[5-(3-fluorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(tricyclo[3.3.1.1~3,7~]dec-1-yl)acetamide, N-(1-adamantyl)-2-[5-(3-fluorophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d]triazol-3-yl]acetamide, N~1~-(1-ADAMANTYL)-2-[5-(3-FLUOROPHENYL)-4,6-DIOXO-4,5,6,6A-TETRAHYDROPYRROLO[3,4-D][1,2,3]TRIAZOL-1(3AH)-YL]ACETAMIDE
| Molecular Formula | C22H24FN5O3 |
|---|---|
| Molecular Weight | 425.19 g/mol |
| LogP | 2.2039 |
| Topological Polar Surface Area | 94.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 425.1863 |
| Heavy Atoms | 31 |
| Complexity | 975.33124 |
Chemical Identifiers
| CAS Number | 1024285-53-7 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)NC(=O)CN4C5C(C(=O)N(C5=O)C6=CC(=CC=C6)F)N=N4 |
Product Overview
2-[5-(3-fluorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(tricyclo[3.3.1.1~3,7~]dec-1-yl)acetamide (CAS 1024285-53-7), with molecular formula C22H24FN5O3 and molecular weight 425.19 g/mol. IUPAC: N-(1-adamantyl)-2-[5-(3-fluorophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d]triazol-3-yl]acetamide.
Chemical Property Profile of 2-[5-(3-fluorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(tricyclo[3.3.1.1~3,7~]dec-1-yl)acetamide
Property Insights of 2-[5-(3-fluorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(tricyclo[3.3.1.1~3,7~]dec-1-yl)acetamide
The XLogP value of 2.2039 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[5-(3-fluorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(tricyclo[3.3.1.1~3,7~]dec-1-yl)acetamide. The TPSA of 94.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[5-(3-fluorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(tricyclo[3.3.1.1~3,7~]dec-1-yl)acetamide. Following Lipinski's Rule of Five, 2-[5-(3-fluorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(tricyclo[3.3.1.1~3,7~]dec-1-yl)acetamide 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 2-[5-(3-fluorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(tricyclo[3.3.1.1~3,7~]dec-1-yl)acetamide?
The CAS number of 2-[5-(3-fluorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(tricyclo[3.3.1.1~3,7~]dec-1-yl)acetamide is 1024285-53-7.
What is the molecular formula of 2-[5-(3-fluorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(tricyclo[3.3.1.1~3,7~]dec-1-yl)acetamide?
The molecular formula of 2-[5-(3-fluorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(tricyclo[3.3.1.1~3,7~]dec-1-yl)acetamide is C22H24FN5O3.
What is the molecular weight of 2-[5-(3-fluorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(tricyclo[3.3.1.1~3,7~]dec-1-yl)acetamide?
The molecular weight of 2-[5-(3-fluorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(tricyclo[3.3.1.1~3,7~]dec-1-yl)acetamide is 425.19 g/mol.
Where can I buy 2-[5-(3-fluorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(tricyclo[3.3.1.1~3,7~]dec-1-yl)acetamide?
You can request a quote for 2-[5-(3-fluorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(tricyclo[3.3.1.1~3,7~]dec-1-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[5-(3-fluorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(tricyclo[3.3.1.1~3,7~]dec-1-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[5-(3-fluorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(tricyclo[3.3.1.1~3,7~]dec-1-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.