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[1-(3-chloro-4-methylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl](4-pyridinyl)methanone
TL;DR: [1-(3-chloro-4-methylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl](4-pyridinyl)methanone (CAS 477847-92-0) is a chemical compound with molecular formula C16H13ClN4O and molecular weight 312.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(3-chloro-4-methylphenyl)-5-methyltriazol-4-yl]-pyridin-4-ylmethanone
Also Known As: [1-(3-chloro-4-methylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl](4-pyridinyl)methanone, 4-[1-(3-chloro-4-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carbonyl]pyridine, 10P-731, [1-(3-chloro-4-methylphenyl)-5-methyltriazol-4-yl]-pyridin-4-ylmethanone, [1-(3-chloro-4-methyl-phenyl)-5-methyl-triazol-4-yl]-(4-pyridyl)methanone
| Molecular Formula | C16H13ClN4O |
|---|---|
| Molecular Weight | 312.08 g/mol |
| LogP | 3.16354 |
| Topological Polar Surface Area | 60.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.0778 |
| Heavy Atoms | 22 |
| Complexity | 842.60706 |
Chemical Identifiers
| CAS Number | 477847-92-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C(=C(N=N2)C(=O)C3=CC=NC=C3)C)Cl |
Product Overview
[1-(3-chloro-4-methylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl](4-pyridinyl)methanone (CAS 477847-92-0), with molecular formula C16H13ClN4O and molecular weight 312.08 g/mol. IUPAC: [1-(3-chloro-4-methylphenyl)-5-methyltriazol-4-yl]-pyridin-4-ylmethanone.
Chemical Property Profile of [1-(3-chloro-4-methylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl](4-pyridinyl)methanone
Property Insights of [1-(3-chloro-4-methylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl](4-pyridinyl)methanone
The XLogP value of 3.16354 indicates that [1-(3-chloro-4-methylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl](4-pyridinyl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.67 Ų falls within the moderate polarity range, balancing permeability and solubility for [1-(3-chloro-4-methylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl](4-pyridinyl)methanone. Following Lipinski's Rule of Five, [1-(3-chloro-4-methylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl](4-pyridinyl)methanone has 0 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-(3-chloro-4-methylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl](4-pyridinyl)methanone?
The CAS number of [1-(3-chloro-4-methylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl](4-pyridinyl)methanone is 477847-92-0.
What is the molecular formula of [1-(3-chloro-4-methylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl](4-pyridinyl)methanone?
The molecular formula of [1-(3-chloro-4-methylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl](4-pyridinyl)methanone is C16H13ClN4O.
What is the molecular weight of [1-(3-chloro-4-methylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl](4-pyridinyl)methanone?
The molecular weight of [1-(3-chloro-4-methylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl](4-pyridinyl)methanone is 312.08 g/mol.
Where can I buy [1-(3-chloro-4-methylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl](4-pyridinyl)methanone?
You can request a quote for [1-(3-chloro-4-methylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl](4-pyridinyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [1-(3-chloro-4-methylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl](4-pyridinyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for [1-(3-chloro-4-methylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl](4-pyridinyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.