![1-[4-(5-Tert-butyltriazol-1-yl)phenyl]-2-chloroethanone structure](/static/products/7190/71909-18-7.webp)
1-[4-(5-Tert-butyltriazol-1-yl)phenyl]-2-chloroethanone
TL;DR: 1-[4-(5-Tert-butyltriazol-1-yl)phenyl]-2-chloroethanone (CAS 71909-18-7) is a chemical compound with molecular formula C14H16ClN3O and molecular weight 277.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(5-tert-butyltriazol-1-yl)phenyl]-2-chloroethanone
Also Known As: 1-[4-(5-tert-butyltriazol-1-yl)phenyl]-2-chloroethanone, 1-[4-(5-tert-butyl-1H-1,2,3-triazol-1-yl)phenyl]-2-chloroethan-1-one
| Molecular Formula | C14H16ClN3O |
|---|---|
| Molecular Weight | 277.10 g/mol |
| LogP | 2.9863 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 277.09818 |
| Heavy Atoms | 19 |
| Complexity | 581.4837 |
Chemical Identifiers
| CAS Number | 71909-18-7 |
|---|---|
| SMILES | CC(C)(C)C1=CN=NN1C2=CC=C(C=C2)C(=O)CCl |
Product Overview
1-[4-(5-Tert-butyltriazol-1-yl)phenyl]-2-chloroethanone (CAS 71909-18-7), with molecular formula C14H16ClN3O and molecular weight 277.10 g/mol. IUPAC: 1-[4-(5-tert-butyltriazol-1-yl)phenyl]-2-chloroethanone.
Chemical Property Profile of 1-[4-(5-Tert-butyltriazol-1-yl)phenyl]-2-chloroethanone
Property Insights of 1-[4-(5-Tert-butyltriazol-1-yl)phenyl]-2-chloroethanone
The XLogP value of 2.9863 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[4-(5-Tert-butyltriazol-1-yl)phenyl]-2-chloroethanone. With a topological polar surface area (TPSA) of 47.78 Ų, 1-[4-(5-Tert-butyltriazol-1-yl)phenyl]-2-chloroethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[4-(5-Tert-butyltriazol-1-yl)phenyl]-2-chloroethanone has 0 hydrogen bond donor(s) and 3 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-[4-(5-Tert-butyltriazol-1-yl)phenyl]-2-chloroethanone?
The CAS number of 1-[4-(5-Tert-butyltriazol-1-yl)phenyl]-2-chloroethanone is 71909-18-7.
What is the molecular formula of 1-[4-(5-Tert-butyltriazol-1-yl)phenyl]-2-chloroethanone?
The molecular formula of 1-[4-(5-Tert-butyltriazol-1-yl)phenyl]-2-chloroethanone is C14H16ClN3O.
What is the molecular weight of 1-[4-(5-Tert-butyltriazol-1-yl)phenyl]-2-chloroethanone?
The molecular weight of 1-[4-(5-Tert-butyltriazol-1-yl)phenyl]-2-chloroethanone is 277.10 g/mol.
Where can I buy 1-[4-(5-Tert-butyltriazol-1-yl)phenyl]-2-chloroethanone?
You can request a quote for 1-[4-(5-Tert-butyltriazol-1-yl)phenyl]-2-chloroethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[4-(5-Tert-butyltriazol-1-yl)phenyl]-2-chloroethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-(5-Tert-butyltriazol-1-yl)phenyl]-2-chloroethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.