CBKinase1_003585
TL;DR: CBKinase1_003585 (CAS 477318-71-1) is a chemical compound with molecular formula C22H17Cl2N5OS and molecular weight 469.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,6-dichlorophenyl)-2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: CBKinase1_003585, CBKinase1_015985, N-(2,6-dichlorophenyl)-2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide, BRD-K43237725-001-01-4, N-(2,6-Dichlorophenyl)-2-((5-(pyridin-4-yl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
| Molecular Formula | C22H17Cl2N5OS |
|---|---|
| Molecular Weight | 469.05 g/mol |
| LogP | 5.67532 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 469.0531 |
| Heavy Atoms | 31 |
| Complexity | 1192.3157 |
Chemical Identifiers
| CAS Number | 477318-71-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C=CC=C3Cl)Cl)C4=CC=NC=C4 |
Product Overview
CBKinase1_003585 (CAS 477318-71-1), with molecular formula C22H17Cl2N5OS and molecular weight 469.05 g/mol. IUPAC: N-(2,6-dichlorophenyl)-2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_003585
Property Insights of CBKinase1_003585
The XLogP value of 5.67532 indicates that CBKinase1_003585 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_003585. Following Lipinski's Rule of Five, CBKinase1_003585 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_003585?
The CAS number of CBKinase1_003585 is 477318-71-1.
What is the molecular formula of CBKinase1_003585?
The molecular formula of CBKinase1_003585 is C22H17Cl2N5OS.
What is the molecular weight of CBKinase1_003585?
The molecular weight of CBKinase1_003585 is 469.05 g/mol.
Where can I buy CBKinase1_003585?
You can request a quote for CBKinase1_003585 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_003585?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_003585 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.