2-(4-Chlorophenyl)-5,5-dimethyl-1,2,4-triazolidin-3-one
TL;DR: 2-(4-Chlorophenyl)-5,5-dimethyl-1,2,4-triazolidin-3-one (CAS 72731-37-4) is a chemical compound with molecular formula C10H12ClN3O and molecular weight 225.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-5,5-dimethyl-1,2,4-triazolidin-3-one
Also Known As: 2-(4-chlorophenyl)-5,5-dimethyl-1,2,4-triazolidin-3-one, AQ-344/43100021
| Molecular Formula | C10H12ClN3O |
|---|---|
| Molecular Weight | 225.07 g/mol |
| LogP | 2.1103 |
| Topological Polar Surface Area | 44.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 225.0669 |
| Heavy Atoms | 15 |
| Complexity | 388.1589 |
Chemical Identifiers
| CAS Number | 72731-37-4 |
|---|---|
| SMILES | CC1(NC(=O)N(N1)C2=CC=C(C=C2)Cl)C |
Product Overview
2-(4-Chlorophenyl)-5,5-dimethyl-1,2,4-triazolidin-3-one (CAS 72731-37-4), with molecular formula C10H12ClN3O and molecular weight 225.07 g/mol. IUPAC: 2-(4-chlorophenyl)-5,5-dimethyl-1,2,4-triazolidin-3-one.
Chemical Property Profile of 2-(4-Chlorophenyl)-5,5-dimethyl-1,2,4-triazolidin-3-one
Property Insights of 2-(4-Chlorophenyl)-5,5-dimethyl-1,2,4-triazolidin-3-one
The XLogP value of 2.1103 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Chlorophenyl)-5,5-dimethyl-1,2,4-triazolidin-3-one. With a topological polar surface area (TPSA) of 44.37 Ų, 2-(4-Chlorophenyl)-5,5-dimethyl-1,2,4-triazolidin-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Chlorophenyl)-5,5-dimethyl-1,2,4-triazolidin-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 2-(4-Chlorophenyl)-5,5-dimethyl-1,2,4-triazolidin-3-one?
The CAS number of 2-(4-Chlorophenyl)-5,5-dimethyl-1,2,4-triazolidin-3-one is 72731-37-4.
What is the molecular formula of 2-(4-Chlorophenyl)-5,5-dimethyl-1,2,4-triazolidin-3-one?
The molecular formula of 2-(4-Chlorophenyl)-5,5-dimethyl-1,2,4-triazolidin-3-one is C10H12ClN3O.
What is the molecular weight of 2-(4-Chlorophenyl)-5,5-dimethyl-1,2,4-triazolidin-3-one?
The molecular weight of 2-(4-Chlorophenyl)-5,5-dimethyl-1,2,4-triazolidin-3-one is 225.07 g/mol.
Where can I buy 2-(4-Chlorophenyl)-5,5-dimethyl-1,2,4-triazolidin-3-one?
You can request a quote for 2-(4-Chlorophenyl)-5,5-dimethyl-1,2,4-triazolidin-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Chlorophenyl)-5,5-dimethyl-1,2,4-triazolidin-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chlorophenyl)-5,5-dimethyl-1,2,4-triazolidin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.