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(Spiro[5,5-adamantyl])-2-phenyl-1,2,4-triazolan-3-one
TL;DR: (Spiro[5,5-adamantyl])-2-phenyl-1,2,4-triazolan-3-one (CAS 131365-80-5) is a chemical compound with molecular formula C17H21N3O and molecular weight 283.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylspiro[1,2,4-triazolidine-5,2'-adamantane]-3-one
Also Known As: (spiro[5,5-adamantyl])-2-phenyl-1,2,4-triazolan-3-one, 2-phenylspiro[1,2,4-triazolidine-5,2'-adamantane]-3-one, 4'-phenylspiro[adamantane-2,2'-[1,3,4]triazolidine]-5'-one, 4'-phenylspiro[adamantane-2,2'-[1,3,4]triazolidin]-5'-one, (Spiro5,5-adamantyl)-2-phenyl-1,2,4-triazolan-3-one
| Molecular Formula | C17H21N3O |
|---|---|
| Molecular Weight | 283.17 g/mol |
| LogP | 2.8732 |
| Topological Polar Surface Area | 44.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 283.16846 |
| Heavy Atoms | 21 |
| Complexity | 556.9578 |
Chemical Identifiers
| CAS Number | 131365-80-5 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)C34NC(=O)N(N4)C5=CC=CC=C5 |
Product Overview
(Spiro[5,5-adamantyl])-2-phenyl-1,2,4-triazolan-3-one (CAS 131365-80-5), with molecular formula C17H21N3O and molecular weight 283.17 g/mol. IUPAC: 2-phenylspiro[1,2,4-triazolidine-5,2'-adamantane]-3-one.
Chemical Property Profile of (Spiro[5,5-adamantyl])-2-phenyl-1,2,4-triazolan-3-one
Property Insights of (Spiro[5,5-adamantyl])-2-phenyl-1,2,4-triazolan-3-one
The XLogP value of 2.8732 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Spiro[5,5-adamantyl])-2-phenyl-1,2,4-triazolan-3-one. With a topological polar surface area (TPSA) of 44.37 Ų, (Spiro[5,5-adamantyl])-2-phenyl-1,2,4-triazolan-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Spiro[5,5-adamantyl])-2-phenyl-1,2,4-triazolan-3-one has 2 hydrogen bond donor(s) and 2 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 (Spiro[5,5-adamantyl])-2-phenyl-1,2,4-triazolan-3-one?
The CAS number of (Spiro[5,5-adamantyl])-2-phenyl-1,2,4-triazolan-3-one is 131365-80-5.
What is the molecular formula of (Spiro[5,5-adamantyl])-2-phenyl-1,2,4-triazolan-3-one?
The molecular formula of (Spiro[5,5-adamantyl])-2-phenyl-1,2,4-triazolan-3-one is C17H21N3O.
What is the molecular weight of (Spiro[5,5-adamantyl])-2-phenyl-1,2,4-triazolan-3-one?
The molecular weight of (Spiro[5,5-adamantyl])-2-phenyl-1,2,4-triazolan-3-one is 283.17 g/mol.
Where can I buy (Spiro[5,5-adamantyl])-2-phenyl-1,2,4-triazolan-3-one?
You can request a quote for (Spiro[5,5-adamantyl])-2-phenyl-1,2,4-triazolan-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Spiro[5,5-adamantyl])-2-phenyl-1,2,4-triazolan-3-one?
Yes, KEHONG BIO provides custom synthesis services for (Spiro[5,5-adamantyl])-2-phenyl-1,2,4-triazolan-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.