CBKinase1_005864
TL;DR: CBKinase1_005864 (CAS 701239-45-4) is a chemical compound with molecular formula C19H16F3N5O3S and molecular weight 451.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-ethyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
Also Known As: CBKinase1_005864, CBKinase1_018264, BRD-K22097123-001-01-5, 2-[[4-ethyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide, 2-{[4-ethyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
| Molecular Formula | C19H16F3N5O3S |
|---|---|
| Molecular Weight | 451.09 g/mol |
| LogP | 4.6228 |
| Topological Polar Surface Area | 102.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 451.0926 |
| Heavy Atoms | 31 |
| Complexity | 1117.163 |
Chemical Identifiers
| CAS Number | 701239-45-4 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(F)(F)F)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
CBKinase1_005864 (CAS 701239-45-4), with molecular formula C19H16F3N5O3S and molecular weight 451.09 g/mol. IUPAC: 2-[[4-ethyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of CBKinase1_005864
Property Insights of CBKinase1_005864
The XLogP value of 4.6228 indicates that CBKinase1_005864 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.95 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_005864. Following Lipinski's Rule of Five, CBKinase1_005864 has 1 hydrogen bond donor(s) and 6 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 CBKinase1_005864?
The CAS number of CBKinase1_005864 is 701239-45-4.
What is the molecular formula of CBKinase1_005864?
The molecular formula of CBKinase1_005864 is C19H16F3N5O3S.
What is the molecular weight of CBKinase1_005864?
The molecular weight of CBKinase1_005864 is 451.09 g/mol.
Where can I buy CBKinase1_005864?
You can request a quote for CBKinase1_005864 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_005864?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_005864 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.