Bionet2_000014
TL;DR: Bionet2_000014 (CAS 321553-35-9) is a chemical compound with molecular formula C12H10F3N3OS and molecular weight 301.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[1-methyl-5-phenylsulfanyl-3-(trifluoromethyl)pyrazol-4-yl]methylidene]hydroxylamine
Also Known As: Bionet2_000014, 1-methyl-5-(phenylsulfanyl)-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde oxime, N-[[1-methyl-5-phenylsulfanyl-3-(trifluoromethyl)pyrazol-4-yl]methylidene]hydroxylamine
| Molecular Formula | C12H10F3N3OS |
|---|---|
| Molecular Weight | 301.05 g/mol |
| LogP | 3.3982 |
| Topological Polar Surface Area | 50.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.04968 |
| Heavy Atoms | 20 |
| Complexity | 622.86804 |
Chemical Identifiers
| CAS Number | 321553-35-9 |
|---|---|
| SMILES | CN1C(=C(C(=N1)C(F)(F)F)C=NO)SC2=CC=CC=C2 |
Product Overview
Bionet2_000014 (CAS 321553-35-9), with molecular formula C12H10F3N3OS and molecular weight 301.05 g/mol. IUPAC: N-[[1-methyl-5-phenylsulfanyl-3-(trifluoromethyl)pyrazol-4-yl]methylidene]hydroxylamine.
Chemical Property Profile of Bionet2_000014
Property Insights of Bionet2_000014
The XLogP value of 3.3982 indicates that Bionet2_000014 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.41 Ų, Bionet2_000014 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bionet2_000014 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 Bionet2_000014?
The CAS number of Bionet2_000014 is 321553-35-9.
What is the molecular formula of Bionet2_000014?
The molecular formula of Bionet2_000014 is C12H10F3N3OS.
What is the molecular weight of Bionet2_000014?
The molecular weight of Bionet2_000014 is 301.05 g/mol.
Where can I buy Bionet2_000014?
You can request a quote for Bionet2_000014 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet2_000014?
Yes, KEHONG BIO provides custom synthesis services for Bionet2_000014 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.