erstressin
TL;DR: erstressin (CAS 321553-29-1) is a chemical compound with molecular formula C13H11ClF3N3OS and molecular weight 349.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-[(2-chlorophenyl)methylsulfanyl]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylidene]hydroxylamine
Also Known As: erstressin, Bionet1_000530, N-[[5-[(2-chlorophenyl)methylsulfanyl]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylidene]hydroxylamine, 5-[(2-chlorobenzyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde oxime, N-{[5-{[(2-Chlorophenyl)methyl]sulfanyl}-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methylidene}hydroxylamine
| Molecular Formula | C13H11ClF3N3OS |
|---|---|
| Molecular Weight | 349.03 g/mol |
| LogP | 4.1927 |
| Topological Polar Surface Area | 50.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 349.02634 |
| Heavy Atoms | 22 |
| Complexity | 700.32416 |
Chemical Identifiers
| CAS Number | 321553-29-1 |
|---|---|
| SMILES | CN1C(=C(C(=N1)C(F)(F)F)C=NO)SCC2=CC=CC=C2Cl |
Product Overview
erstressin (CAS 321553-29-1), with molecular formula C13H11ClF3N3OS and molecular weight 349.03 g/mol. IUPAC: N-[[5-[(2-chlorophenyl)methylsulfanyl]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylidene]hydroxylamine.
Chemical Property Profile of erstressin
Property Insights of erstressin
The XLogP value of 4.1927 indicates that erstressin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.41 Ų, erstressin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, erstressin 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 erstressin?
The CAS number of erstressin is 321553-29-1.
What is the molecular formula of erstressin?
The molecular formula of erstressin is C13H11ClF3N3OS.
What is the molecular weight of erstressin?
The molecular weight of erstressin is 349.03 g/mol.
Where can I buy erstressin?
You can request a quote for erstressin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for erstressin?
Yes, KEHONG BIO provides custom synthesis services for erstressin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.