Bionet1_001684
TL;DR: Bionet1_001684 (CAS 338413-08-4) is a chemical compound with molecular formula C13H8ClF3N4OS2 and molecular weight 391.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-5-(2-methoxyiminoethyl)-1,2-thiazole-4-carbonitrile
Also Known As: Bionet1_001684, 3-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-5-[2-(methoxyimino)ethyl]-4-isothiazolecarbonitrile, 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-5-(2-methoxyiminoethyl)-1,2-thiazole-4-carbonitrile
| Molecular Formula | C13H8ClF3N4OS2 |
|---|---|
| Molecular Weight | 391.98 g/mol |
| LogP | 4.40788 |
| Topological Polar Surface Area | 71.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 391.97803 |
| Heavy Atoms | 24 |
| Complexity | 801.4901 |
Chemical Identifiers
| CAS Number | 338413-08-4 |
|---|---|
| SMILES | CON=CCC1=C(C(=NS1)SC2=C(C=C(C=N2)C(F)(F)F)Cl)C#N |
Product Overview
Bionet1_001684 (CAS 338413-08-4), with molecular formula C13H8ClF3N4OS2 and molecular weight 391.98 g/mol. IUPAC: 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-5-(2-methoxyiminoethyl)-1,2-thiazole-4-carbonitrile.
Chemical Property Profile of Bionet1_001684
Property Insights of Bionet1_001684
The XLogP value of 4.40788 indicates that Bionet1_001684 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.16 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_001684. Following Lipinski's Rule of Five, Bionet1_001684 has 0 hydrogen bond donor(s) and 7 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_001684?
The CAS number of Bionet1_001684 is 338413-08-4.
What is the molecular formula of Bionet1_001684?
The molecular formula of Bionet1_001684 is C13H8ClF3N4OS2.
What is the molecular weight of Bionet1_001684?
The molecular weight of Bionet1_001684 is 391.98 g/mol.
Where can I buy Bionet1_001684?
You can request a quote for Bionet1_001684 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_001684?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_001684 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.