Bionet2_000888
TL;DR: Bionet2_000888 (CAS 321574-39-4) is a chemical compound with molecular formula C18H15ClF3N3O2S and molecular weight 429.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(benzenesulfonylmethyl)-3,5-dimethylpyrazol-1-yl]-3-chloro-5-(trifluoromethyl)pyridine
Also Known As: Bionet2_000888, 2-{4-[(benzenesulfonyl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-3-chloro-5-(trifluoromethyl)pyridine, 8H-925, 2-[4-(benzenesulfonylmethyl)-3,5-dimethylpyrazol-1-yl]-3-chloro-5-(trifluoromethyl)pyridine, {1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3,5-dimethyl-1H-pyrazol-4-yl}methyl phenyl sulfone
| Molecular Formula | C18H15ClF3N3O2S |
|---|---|
| Molecular Weight | 429.05 g/mol |
| LogP | 4.53024 |
| Topological Polar Surface Area | 64.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 429.05255 |
| Heavy Atoms | 28 |
| Complexity | 1126.9679 |
Chemical Identifiers
| CAS Number | 321574-39-4 |
|---|---|
| SMILES | CC1=C(C(=NN1C2=C(C=C(C=N2)C(F)(F)F)Cl)C)CS(=O)(=O)C3=CC=CC=C3 |
Product Overview
Bionet2_000888 (CAS 321574-39-4), with molecular formula C18H15ClF3N3O2S and molecular weight 429.05 g/mol. IUPAC: 2-[4-(benzenesulfonylmethyl)-3,5-dimethylpyrazol-1-yl]-3-chloro-5-(trifluoromethyl)pyridine.
Chemical Property Profile of Bionet2_000888
Property Insights of Bionet2_000888
The XLogP value of 4.53024 indicates that Bionet2_000888 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.85 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet2_000888. Following Lipinski's Rule of Five, Bionet2_000888 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 Bionet2_000888?
The CAS number of Bionet2_000888 is 321574-39-4.
What is the molecular formula of Bionet2_000888?
The molecular formula of Bionet2_000888 is C18H15ClF3N3O2S.
What is the molecular weight of Bionet2_000888?
The molecular weight of Bionet2_000888 is 429.05 g/mol.
Where can I buy Bionet2_000888?
You can request a quote for Bionet2_000888 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet2_000888?
Yes, KEHONG BIO provides custom synthesis services for Bionet2_000888 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.