4-(3-chloro-4-methylbenzoyl)-4H-1,2,4-triazol-3-ylamine
TL;DR: 4-(3-chloro-4-methylbenzoyl)-4H-1,2,4-triazol-3-ylamine (CAS 443327-26-2) 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.
(3-amino-1,2,4-triazol-4-yl)-(3-chloro-4-methylphenyl)methanone
Also Known As: ChemDiv2_004446, 4-(3-chloro-4-methylbenzoyl)-4H-1,2,4-triazol-3-ylamine, IDI1_003161, KSC-11-229-17, AO-081/41480916
| Molecular Formula | C10H9ClN4O |
|---|---|
| Molecular Weight | 236.05 g/mol |
| LogP | 2.2 |
| 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 | 276.0 |
Chemical Identifiers
| CAS Number | 443327-26-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)N2C=NN=C2N)Cl |
| InChIKey | BSNNZVXOFKPFNO-UHFFFAOYSA-N |
Product Overview
4-(3-chloro-4-methylbenzoyl)-4H-1,2,4-triazol-3-ylamine (CAS 443327-26-2), with molecular formula C10H9ClN4O and molecular weight 236.05 g/mol. IUPAC: (3-amino-1,2,4-triazol-4-yl)-(3-chloro-4-methylphenyl)methanone.
Chemical Property Profile of 4-(3-chloro-4-methylbenzoyl)-4H-1,2,4-triazol-3-ylamine
Property Insights of 4-(3-chloro-4-methylbenzoyl)-4H-1,2,4-triazol-3-ylamine
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-chloro-4-methylbenzoyl)-4H-1,2,4-triazol-3-ylamine. The TPSA of 73.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-chloro-4-methylbenzoyl)-4H-1,2,4-triazol-3-ylamine. Following Lipinski's Rule of Five, 4-(3-chloro-4-methylbenzoyl)-4H-1,2,4-triazol-3-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 4-(3-chloro-4-methylbenzoyl)-4H-1,2,4-triazol-3-ylamine?
The CAS number of 4-(3-chloro-4-methylbenzoyl)-4H-1,2,4-triazol-3-ylamine is 443327-26-2.
What is the molecular formula of 4-(3-chloro-4-methylbenzoyl)-4H-1,2,4-triazol-3-ylamine?
The molecular formula of 4-(3-chloro-4-methylbenzoyl)-4H-1,2,4-triazol-3-ylamine is C10H9ClN4O.
What is the molecular weight of 4-(3-chloro-4-methylbenzoyl)-4H-1,2,4-triazol-3-ylamine?
The molecular weight of 4-(3-chloro-4-methylbenzoyl)-4H-1,2,4-triazol-3-ylamine is 236.05 g/mol.
Where can I buy 4-(3-chloro-4-methylbenzoyl)-4H-1,2,4-triazol-3-ylamine?
You can request a quote for 4-(3-chloro-4-methylbenzoyl)-4H-1,2,4-triazol-3-ylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-chloro-4-methylbenzoyl)-4H-1,2,4-triazol-3-ylamine?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-chloro-4-methylbenzoyl)-4H-1,2,4-triazol-3-ylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.