4-Isopropyl-1-phenyl-1,2,4-triazolidine-3,5-dione
TL;DR: 4-Isopropyl-1-phenyl-1,2,4-triazolidine-3,5-dione (CAS 55871-99-3) is a chemical compound with molecular formula C11H13N3O2 and molecular weight 219.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-4-propan-2-yl-1,2,4-triazolidine-3,5-dione
Also Known As: NCI60_031376, 4-isopropyl-1-phenyl-[1,2,4]triazolidine-3,5-dione, 4-Isopropyl-1-phenyl-1,2,4-triazolidine-3,5-dione, 1-phenyl-4-propan-2-yl-1,2,4-triazolidine-3,5-dione, 4-(1-methylethyl)-1-phenyl-1,2,4-triazolidine-3,5-dione
| Molecular Formula | C11H13N3O2 |
|---|---|
| Molecular Weight | 219.10 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 52.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 219.10077 |
| Heavy Atoms | 16 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 55871-99-3 |
|---|---|
| SMILES | CC(C)N1C(=O)NN(C1=O)C2=CC=CC=C2 |
| InChIKey | HEFCYORAFRVAAZ-UHFFFAOYSA-N |
Product Overview
4-Isopropyl-1-phenyl-1,2,4-triazolidine-3,5-dione (CAS 55871-99-3), with molecular formula C11H13N3O2 and molecular weight 219.10 g/mol. IUPAC: 1-phenyl-4-propan-2-yl-1,2,4-triazolidine-3,5-dione.
Chemical Property Profile of 4-Isopropyl-1-phenyl-1,2,4-triazolidine-3,5-dione
Property Insights of 4-Isopropyl-1-phenyl-1,2,4-triazolidine-3,5-dione
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Isopropyl-1-phenyl-1,2,4-triazolidine-3,5-dione. With a topological polar surface area (TPSA) of 52.7 Ų, 4-Isopropyl-1-phenyl-1,2,4-triazolidine-3,5-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Isopropyl-1-phenyl-1,2,4-triazolidine-3,5-dione has 1 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 4-Isopropyl-1-phenyl-1,2,4-triazolidine-3,5-dione?
The CAS number of 4-Isopropyl-1-phenyl-1,2,4-triazolidine-3,5-dione is 55871-99-3.
What is the molecular formula of 4-Isopropyl-1-phenyl-1,2,4-triazolidine-3,5-dione?
The molecular formula of 4-Isopropyl-1-phenyl-1,2,4-triazolidine-3,5-dione is C11H13N3O2.
What is the molecular weight of 4-Isopropyl-1-phenyl-1,2,4-triazolidine-3,5-dione?
The molecular weight of 4-Isopropyl-1-phenyl-1,2,4-triazolidine-3,5-dione is 219.10 g/mol.
Where can I buy 4-Isopropyl-1-phenyl-1,2,4-triazolidine-3,5-dione?
You can request a quote for 4-Isopropyl-1-phenyl-1,2,4-triazolidine-3,5-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Isopropyl-1-phenyl-1,2,4-triazolidine-3,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 4-Isopropyl-1-phenyl-1,2,4-triazolidine-3,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.