![2-Propanone, 1-[2-(3-chlorophenyl)-2H-1,2,3-triazol-4-yl]- structure](/static/products/5483/54833-33-9.webp)
2-Propanone, 1-[2-(3-chlorophenyl)-2H-1,2,3-triazol-4-yl]-
TL;DR: 2-Propanone, 1-[2-(3-chlorophenyl)-2H-1,2,3-triazol-4-yl]- (CAS 54833-33-9) is a chemical compound with molecular formula C11H10ClN3O and molecular weight 235.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(3-chlorophenyl)triazol-4-yl]propan-2-one
Also Known As: 1-[2-(3-chlorophenyl)triazol-4-yl]propan-2-one, 2-Propanone, 1-[2-(3-chlorophenyl)-2H-1,2,3-triazol-4-yl]-, 1-[2-(3-Chlorophenyl)-2H-1,2,3-triazol-4-yl]acetone, 1-[2-(3-Chlorophenyl)-2H-1,2,3-triazol-4-yl]acetone #, 1-[2-(3-Chlorophenyl)-2h-1,2,3-triazol-4-yl ]propan-2-one
| Molecular Formula | C11H10ClN3O |
|---|---|
| Molecular Weight | 235.05 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 47.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 235.05124 |
| Heavy Atoms | 16 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 54833-33-9 |
|---|---|
| SMILES | CC(=O)CC1=NN(N=C1)C2=CC(=CC=C2)Cl |
| InChIKey | CHEWPERSMBVDTP-UHFFFAOYSA-N |
Product Overview
2-Propanone, 1-[2-(3-chlorophenyl)-2H-1,2,3-triazol-4-yl]- (CAS 54833-33-9), with molecular formula C11H10ClN3O and molecular weight 235.05 g/mol. IUPAC: 1-[2-(3-chlorophenyl)triazol-4-yl]propan-2-one.
Chemical Property Profile of 2-Propanone, 1-[2-(3-chlorophenyl)-2H-1,2,3-triazol-4-yl]-
Property Insights of 2-Propanone, 1-[2-(3-chlorophenyl)-2H-1,2,3-triazol-4-yl]-
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propanone, 1-[2-(3-chlorophenyl)-2H-1,2,3-triazol-4-yl]-. With a topological polar surface area (TPSA) of 47.8 Ų, 2-Propanone, 1-[2-(3-chlorophenyl)-2H-1,2,3-triazol-4-yl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propanone, 1-[2-(3-chlorophenyl)-2H-1,2,3-triazol-4-yl]- 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 2-Propanone, 1-[2-(3-chlorophenyl)-2H-1,2,3-triazol-4-yl]-?
The CAS number of 2-Propanone, 1-[2-(3-chlorophenyl)-2H-1,2,3-triazol-4-yl]- is 54833-33-9.
What is the molecular formula of 2-Propanone, 1-[2-(3-chlorophenyl)-2H-1,2,3-triazol-4-yl]-?
The molecular formula of 2-Propanone, 1-[2-(3-chlorophenyl)-2H-1,2,3-triazol-4-yl]- is C11H10ClN3O.
What is the molecular weight of 2-Propanone, 1-[2-(3-chlorophenyl)-2H-1,2,3-triazol-4-yl]-?
The molecular weight of 2-Propanone, 1-[2-(3-chlorophenyl)-2H-1,2,3-triazol-4-yl]- is 235.05 g/mol.
Where can I buy 2-Propanone, 1-[2-(3-chlorophenyl)-2H-1,2,3-triazol-4-yl]-?
You can request a quote for 2-Propanone, 1-[2-(3-chlorophenyl)-2H-1,2,3-triazol-4-yl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propanone, 1-[2-(3-chlorophenyl)-2H-1,2,3-triazol-4-yl]-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propanone, 1-[2-(3-chlorophenyl)-2H-1,2,3-triazol-4-yl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.