CBKinase1_003959
TL;DR: CBKinase1_003959 (CAS 613225-88-0) is a chemical compound with molecular formula C22H17ClFN5OS and molecular weight 453.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide
Also Known As: CBKinase1_003959, CBKinase1_016359, BRD-K72856169-001-01-8, 2-{[4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-fluoro-4-methylphenyl)acetamide, 2-((4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-fluoro-4-methylphenyl)acetamide
| Molecular Formula | C22H17ClFN5OS |
|---|---|
| Molecular Weight | 453.08 g/mol |
| LogP | 5.16102 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 453.08264 |
| Heavy Atoms | 31 |
| Complexity | 1214.5657 |
Chemical Identifiers
| CAS Number | 613225-88-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=NC=C4)F |
Product Overview
CBKinase1_003959 (CAS 613225-88-0), with molecular formula C22H17ClFN5OS and molecular weight 453.08 g/mol. IUPAC: 2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide.
Chemical Property Profile of CBKinase1_003959
Property Insights of CBKinase1_003959
The XLogP value of 5.16102 indicates that CBKinase1_003959 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_003959. Following Lipinski's Rule of Five, CBKinase1_003959 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CBKinase1_003959?
The CAS number of CBKinase1_003959 is 613225-88-0.
What is the molecular formula of CBKinase1_003959?
The molecular formula of CBKinase1_003959 is C22H17ClFN5OS.
What is the molecular weight of CBKinase1_003959?
The molecular weight of CBKinase1_003959 is 453.08 g/mol.
Where can I buy CBKinase1_003959?
You can request a quote for CBKinase1_003959 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_003959?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_003959 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.