2-(2-Chloroanilino)-1-(3,5-dimethylpyrazol-1-yl)ethanone
TL;DR: 2-(2-Chloroanilino)-1-(3,5-dimethylpyrazol-1-yl)ethanone (CAS 329228-29-7) is a chemical compound with molecular formula C13H14ClN3O and molecular weight 263.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-chloroanilino)-1-(3,5-dimethylpyrazol-1-yl)ethanone
Also Known As: BAS 02285577, 2-(2-chloroanilino)-1-(3,5-dimethylpyrazol-1-yl)ethanone, 2-[(2-chlorophenyl)amino]-1-(3,5-dimethyl-1H-pyrazol-1-yl)ethanone, AN-329/14723124, (2-chlorophenyl)[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]amine
| Molecular Formula | C13H14ClN3O |
|---|---|
| Molecular Weight | 263.08 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 46.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 263.08255 |
| Heavy Atoms | 18 |
| Complexity | 300.0 |
Chemical Identifiers
| CAS Number | 329228-29-7 |
|---|---|
| SMILES | CC1=CC(=NN1C(=O)CNC2=CC=CC=C2Cl)C |
| InChIKey | WUKYUWPYLSXVEL-UHFFFAOYSA-N |
Product Overview
2-(2-Chloroanilino)-1-(3,5-dimethylpyrazol-1-yl)ethanone (CAS 329228-29-7), with molecular formula C13H14ClN3O and molecular weight 263.08 g/mol. IUPAC: 2-(2-chloroanilino)-1-(3,5-dimethylpyrazol-1-yl)ethanone.
Chemical Property Profile of 2-(2-Chloroanilino)-1-(3,5-dimethylpyrazol-1-yl)ethanone
Property Insights of 2-(2-Chloroanilino)-1-(3,5-dimethylpyrazol-1-yl)ethanone
The XLogP value of 3.3 indicates that 2-(2-Chloroanilino)-1-(3,5-dimethylpyrazol-1-yl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.9 Ų, 2-(2-Chloroanilino)-1-(3,5-dimethylpyrazol-1-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Chloroanilino)-1-(3,5-dimethylpyrazol-1-yl)ethanone has 1 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-(2-Chloroanilino)-1-(3,5-dimethylpyrazol-1-yl)ethanone?
The CAS number of 2-(2-Chloroanilino)-1-(3,5-dimethylpyrazol-1-yl)ethanone is 329228-29-7.
What is the molecular formula of 2-(2-Chloroanilino)-1-(3,5-dimethylpyrazol-1-yl)ethanone?
The molecular formula of 2-(2-Chloroanilino)-1-(3,5-dimethylpyrazol-1-yl)ethanone is C13H14ClN3O.
What is the molecular weight of 2-(2-Chloroanilino)-1-(3,5-dimethylpyrazol-1-yl)ethanone?
The molecular weight of 2-(2-Chloroanilino)-1-(3,5-dimethylpyrazol-1-yl)ethanone is 263.08 g/mol.
Where can I buy 2-(2-Chloroanilino)-1-(3,5-dimethylpyrazol-1-yl)ethanone?
You can request a quote for 2-(2-Chloroanilino)-1-(3,5-dimethylpyrazol-1-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Chloroanilino)-1-(3,5-dimethylpyrazol-1-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Chloroanilino)-1-(3,5-dimethylpyrazol-1-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.