![[3-(3-Bromo-1,2,4-triazol-1-yl)-1-adamantyl]-pyrrolidin-1-ylmethanone structure](/static/products/4450/445016-98-8.webp)
[3-(3-Bromo-1,2,4-triazol-1-yl)-1-adamantyl]-pyrrolidin-1-ylmethanone
TL;DR: [3-(3-Bromo-1,2,4-triazol-1-yl)-1-adamantyl]-pyrrolidin-1-ylmethanone (CAS 445016-98-8) is a chemical compound with molecular formula C17H23BrN4O and molecular weight 378.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(3-bromo-1,2,4-triazol-1-yl)-1-adamantyl]-pyrrolidin-1-ylmethanone
Also Known As: [3-(3-bromo-1,2,4-triazol-1-yl)-1-adamantyl]-pyrrolidin-1-ylmethanone, 3-bromo-1-[3-(1-pyrrolidinylcarbonyl)-1-adamantyl]-1H-1,2,4-triazole, [3-(3-bromo-1,2,4-triazol-1-yl)-1-adamantyl]-pyrrolidin-1-yl-methanone, [3-(3-BROMO-1H-1,2,4-TRIAZOL-1-YL)-1-ADAMANTYL](1-PYRROLIDINYL)METHANONE, [3-(3-bromo-1H-1,2,4-triazol-1-yl)tricyclo[3.3.1.1~3,7~]dec-1-yl](pyrrolidin-1-yl)methanone
| Molecular Formula | C17H23BrN4O |
|---|---|
| Molecular Weight | 378.11 g/mol |
| LogP | 2.9585 |
| Topological Polar Surface Area | 51.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 378.10553 |
| Heavy Atoms | 23 |
| Complexity | 636.7735 |
Chemical Identifiers
| CAS Number | 445016-98-8 |
|---|---|
| SMILES | C1CCN(C1)C(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)Br |
Product Overview
[3-(3-Bromo-1,2,4-triazol-1-yl)-1-adamantyl]-pyrrolidin-1-ylmethanone (CAS 445016-98-8), with molecular formula C17H23BrN4O and molecular weight 378.11 g/mol. IUPAC: [3-(3-bromo-1,2,4-triazol-1-yl)-1-adamantyl]-pyrrolidin-1-ylmethanone.
Chemical Property Profile of [3-(3-Bromo-1,2,4-triazol-1-yl)-1-adamantyl]-pyrrolidin-1-ylmethanone
Property Insights of [3-(3-Bromo-1,2,4-triazol-1-yl)-1-adamantyl]-pyrrolidin-1-ylmethanone
The XLogP value of 2.9585 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [3-(3-Bromo-1,2,4-triazol-1-yl)-1-adamantyl]-pyrrolidin-1-ylmethanone. With a topological polar surface area (TPSA) of 51.02 Ų, [3-(3-Bromo-1,2,4-triazol-1-yl)-1-adamantyl]-pyrrolidin-1-ylmethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [3-(3-Bromo-1,2,4-triazol-1-yl)-1-adamantyl]-pyrrolidin-1-ylmethanone has 0 hydrogen bond donor(s) and 3 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-Bromo-1,2,4-triazol-1-yl)-1-adamantyl]-pyrrolidin-1-ylmethanone?
The CAS number of [3-(3-Bromo-1,2,4-triazol-1-yl)-1-adamantyl]-pyrrolidin-1-ylmethanone is 445016-98-8.
What is the molecular formula of [3-(3-Bromo-1,2,4-triazol-1-yl)-1-adamantyl]-pyrrolidin-1-ylmethanone?
The molecular formula of [3-(3-Bromo-1,2,4-triazol-1-yl)-1-adamantyl]-pyrrolidin-1-ylmethanone is C17H23BrN4O.
What is the molecular weight of [3-(3-Bromo-1,2,4-triazol-1-yl)-1-adamantyl]-pyrrolidin-1-ylmethanone?
The molecular weight of [3-(3-Bromo-1,2,4-triazol-1-yl)-1-adamantyl]-pyrrolidin-1-ylmethanone is 378.11 g/mol.
Where can I buy [3-(3-Bromo-1,2,4-triazol-1-yl)-1-adamantyl]-pyrrolidin-1-ylmethanone?
You can request a quote for [3-(3-Bromo-1,2,4-triazol-1-yl)-1-adamantyl]-pyrrolidin-1-ylmethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [3-(3-Bromo-1,2,4-triazol-1-yl)-1-adamantyl]-pyrrolidin-1-ylmethanone?
Yes, KEHONG BIO provides custom synthesis services for [3-(3-Bromo-1,2,4-triazol-1-yl)-1-adamantyl]-pyrrolidin-1-ylmethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.