Bionet1_000534
TL;DR: Bionet1_000534 (CAS 321553-54-2) is a chemical compound with molecular formula C17H20F3N3OS and molecular weight 371.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-[(4-tert-butylphenyl)methylsulfanyl]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylidene]hydroxylamine
Also Known As: Bionet1_000534, 5-{[4-(tert-butyl)benzyl]sulfanyl}-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde oxime, N-[[5-[(4-tert-butylphenyl)methylsulfanyl]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylidene]hydroxylamine
| Molecular Formula | C17H20F3N3OS |
|---|---|
| Molecular Weight | 371.13 g/mol |
| LogP | 4.8368 |
| Topological Polar Surface Area | 50.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 371.12793 |
| Heavy Atoms | 25 |
| Complexity | 759.17084 |
Chemical Identifiers
| CAS Number | 321553-54-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)CSC2=C(C(=NN2C)C(F)(F)F)C=NO |
Product Overview
Bionet1_000534 (CAS 321553-54-2), with molecular formula C17H20F3N3OS and molecular weight 371.13 g/mol. IUPAC: N-[[5-[(4-tert-butylphenyl)methylsulfanyl]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylidene]hydroxylamine.
Chemical Property Profile of Bionet1_000534
Property Insights of Bionet1_000534
The XLogP value of 4.8368 indicates that Bionet1_000534 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.41 Ų, Bionet1_000534 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bionet1_000534 has 1 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 Bionet1_000534?
The CAS number of Bionet1_000534 is 321553-54-2.
What is the molecular formula of Bionet1_000534?
The molecular formula of Bionet1_000534 is C17H20F3N3OS.
What is the molecular weight of Bionet1_000534?
The molecular weight of Bionet1_000534 is 371.13 g/mol.
Where can I buy Bionet1_000534?
You can request a quote for Bionet1_000534 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_000534?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_000534 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.