(3-amino-4H-1,2,4-triazol-4-yl)(2-chlorophenyl)methanone
TL;DR: (3-amino-4H-1,2,4-triazol-4-yl)(2-chlorophenyl)methanone (CAS 693238-89-0) is a chemical compound with molecular formula C9H7ClN4O and molecular weight 222.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-amino-1,2,4-triazol-4-yl)-(2-chlorophenyl)methanone
Also Known As: SDCCGMLS-0025969.P002, BAS 06763551, 4-(2-chlorobenzoyl)-4H-1,2,4-triazol-3-amine, (3-amino-4H-1,2,4-triazol-4-yl)(2-chlorophenyl)methanone, (3-amino-1,2,4-triazol-4-yl)-(2-chlorophenyl)methanone
| Molecular Formula | C9H7ClN4O |
|---|---|
| Molecular Weight | 222.03 g/mol |
| LogP | 1.2022 |
| Topological Polar Surface Area | 73.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 222.03084 |
| Heavy Atoms | 15 |
| Complexity | 508.3184 |
Chemical Identifiers
| CAS Number | 693238-89-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)N2C=NN=C2N)Cl |
Product Overview
(3-amino-4H-1,2,4-triazol-4-yl)(2-chlorophenyl)methanone (CAS 693238-89-0), with molecular formula C9H7ClN4O and molecular weight 222.03 g/mol. IUPAC: (3-amino-1,2,4-triazol-4-yl)-(2-chlorophenyl)methanone.
Chemical Property Profile of (3-amino-4H-1,2,4-triazol-4-yl)(2-chlorophenyl)methanone
Property Insights of (3-amino-4H-1,2,4-triazol-4-yl)(2-chlorophenyl)methanone
The XLogP value of 1.2022 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-amino-4H-1,2,4-triazol-4-yl)(2-chlorophenyl)methanone. The TPSA of 73.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-amino-4H-1,2,4-triazol-4-yl)(2-chlorophenyl)methanone. Following Lipinski's Rule of Five, (3-amino-4H-1,2,4-triazol-4-yl)(2-chlorophenyl)methanone 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-amino-4H-1,2,4-triazol-4-yl)(2-chlorophenyl)methanone?
The CAS number of (3-amino-4H-1,2,4-triazol-4-yl)(2-chlorophenyl)methanone is 693238-89-0.
What is the molecular formula of (3-amino-4H-1,2,4-triazol-4-yl)(2-chlorophenyl)methanone?
The molecular formula of (3-amino-4H-1,2,4-triazol-4-yl)(2-chlorophenyl)methanone is C9H7ClN4O.
What is the molecular weight of (3-amino-4H-1,2,4-triazol-4-yl)(2-chlorophenyl)methanone?
The molecular weight of (3-amino-4H-1,2,4-triazol-4-yl)(2-chlorophenyl)methanone is 222.03 g/mol.
Where can I buy (3-amino-4H-1,2,4-triazol-4-yl)(2-chlorophenyl)methanone?
You can request a quote for (3-amino-4H-1,2,4-triazol-4-yl)(2-chlorophenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-amino-4H-1,2,4-triazol-4-yl)(2-chlorophenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (3-amino-4H-1,2,4-triazol-4-yl)(2-chlorophenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.