CBKinase1_008752
TL;DR: CBKinase1_008752 (CAS 578755-06-3) is a chemical compound with molecular formula C16H13F2N5OS and molecular weight 361.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,4-difluorophenyl)-2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: CBKinase1_008752, CBKinase1_021152, BRD-K70651367-001-01-5, N-(3,4-difluorophenyl)-2-{[4-methyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(3,4-difluorophenyl)-2-(4-methyl-5-(2-pyridyl)(1,2,4-triazol-3-ylthio))aceta mide
| Molecular Formula | C16H13F2N5OS |
|---|---|
| Molecular Weight | 361.08 g/mol |
| LogP | 2.8861 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 361.0809 |
| Heavy Atoms | 25 |
| Complexity | 900.79565 |
Chemical Identifiers
| CAS Number | 578755-06-3 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)F)F)C3=CC=CC=N3 |
Product Overview
CBKinase1_008752 (CAS 578755-06-3), with molecular formula C16H13F2N5OS and molecular weight 361.08 g/mol. IUPAC: N-(3,4-difluorophenyl)-2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_008752
Property Insights of CBKinase1_008752
The XLogP value of 2.8861 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_008752. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_008752. Following Lipinski's Rule of Five, CBKinase1_008752 has 1 hydrogen bond donor(s) and 5 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_008752?
The CAS number of CBKinase1_008752 is 578755-06-3.
What is the molecular formula of CBKinase1_008752?
The molecular formula of CBKinase1_008752 is C16H13F2N5OS.
What is the molecular weight of CBKinase1_008752?
The molecular weight of CBKinase1_008752 is 361.08 g/mol.
Where can I buy CBKinase1_008752?
You can request a quote for CBKinase1_008752 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_008752?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_008752 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.