3-(4-chlorophenyl)-1-propionyl-1H-1,2,4-triazol-5-ylamine
TL;DR: 3-(4-chlorophenyl)-1-propionyl-1H-1,2,4-triazol-5-ylamine (CAS 694460-71-4) is a chemical compound with molecular formula C11H11ClN4O and molecular weight 250.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-amino-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]propan-1-one
Also Known As: BAS 06344139, VU0047639-1, 3-(4-chlorophenyl)-1-propionyl-1H-1,2,4-triazol-5-ylamine, AE-848/42278570, 1-[5-amino-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]propan-1-one
| Molecular Formula | C11H11ClN4O |
|---|---|
| Molecular Weight | 250.06 g/mol |
| LogP | 2.2309 |
| Topological Polar Surface Area | 73.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.06213 |
| Heavy Atoms | 17 |
| Complexity | 547.0991 |
Chemical Identifiers
| CAS Number | 694460-71-4 |
|---|---|
| SMILES | CCC(=O)N1C(=NC(=N1)C2=CC=C(C=C2)Cl)N |
Product Overview
3-(4-chlorophenyl)-1-propionyl-1H-1,2,4-triazol-5-ylamine (CAS 694460-71-4), with molecular formula C11H11ClN4O and molecular weight 250.06 g/mol. IUPAC: 1-[5-amino-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]propan-1-one.
Chemical Property Profile of 3-(4-chlorophenyl)-1-propionyl-1H-1,2,4-triazol-5-ylamine
Property Insights of 3-(4-chlorophenyl)-1-propionyl-1H-1,2,4-triazol-5-ylamine
The XLogP value of 2.2309 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-chlorophenyl)-1-propionyl-1H-1,2,4-triazol-5-ylamine. The TPSA of 73.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-chlorophenyl)-1-propionyl-1H-1,2,4-triazol-5-ylamine. Following Lipinski's Rule of Five, 3-(4-chlorophenyl)-1-propionyl-1H-1,2,4-triazol-5-ylamine has 1 hydrogen bond donor(s) and 4 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-(4-chlorophenyl)-1-propionyl-1H-1,2,4-triazol-5-ylamine?
The CAS number of 3-(4-chlorophenyl)-1-propionyl-1H-1,2,4-triazol-5-ylamine is 694460-71-4.
What is the molecular formula of 3-(4-chlorophenyl)-1-propionyl-1H-1,2,4-triazol-5-ylamine?
The molecular formula of 3-(4-chlorophenyl)-1-propionyl-1H-1,2,4-triazol-5-ylamine is C11H11ClN4O.
What is the molecular weight of 3-(4-chlorophenyl)-1-propionyl-1H-1,2,4-triazol-5-ylamine?
The molecular weight of 3-(4-chlorophenyl)-1-propionyl-1H-1,2,4-triazol-5-ylamine is 250.06 g/mol.
Where can I buy 3-(4-chlorophenyl)-1-propionyl-1H-1,2,4-triazol-5-ylamine?
You can request a quote for 3-(4-chlorophenyl)-1-propionyl-1H-1,2,4-triazol-5-ylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-chlorophenyl)-1-propionyl-1H-1,2,4-triazol-5-ylamine?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-chlorophenyl)-1-propionyl-1H-1,2,4-triazol-5-ylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.