1-acetyl-3-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine
TL;DR: 1-acetyl-3-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine (CAS 694468-32-1) is a chemical compound with molecular formula C10H9ClN4O and molecular weight 236.05 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]ethanone
Also Known As: BAS 06344138, 1-acetyl-3-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine, VU0048268-1, AE-848/42278569, 1-[5-amino-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]ethanone
| Molecular Formula | C10H9ClN4O |
|---|---|
| Molecular Weight | 236.05 g/mol |
| LogP | 1.8408 |
| Topological Polar Surface Area | 73.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 236.0465 |
| Heavy Atoms | 16 |
| Complexity | 532.2521 |
Chemical Identifiers
| CAS Number | 694468-32-1 |
|---|---|
| SMILES | CC(=O)N1C(=NC(=N1)C2=CC=C(C=C2)Cl)N |
Product Overview
1-acetyl-3-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine (CAS 694468-32-1), with molecular formula C10H9ClN4O and molecular weight 236.05 g/mol. IUPAC: 1-[5-amino-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]ethanone.
Chemical Property Profile of 1-acetyl-3-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine
Property Insights of 1-acetyl-3-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine
The XLogP value of 1.8408 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-acetyl-3-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine. The TPSA of 73.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-acetyl-3-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine. Following Lipinski's Rule of Five, 1-acetyl-3-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine 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 1-acetyl-3-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine?
The CAS number of 1-acetyl-3-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine is 694468-32-1.
What is the molecular formula of 1-acetyl-3-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine?
The molecular formula of 1-acetyl-3-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine is C10H9ClN4O.
What is the molecular weight of 1-acetyl-3-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine?
The molecular weight of 1-acetyl-3-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine is 236.05 g/mol.
Where can I buy 1-acetyl-3-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine?
You can request a quote for 1-acetyl-3-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-acetyl-3-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine?
Yes, KEHONG BIO provides custom synthesis services for 1-acetyl-3-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.