CBKinase1_002417
TL;DR: CBKinase1_002417 (CAS 693234-22-9) is a chemical compound with molecular formula C20H13Cl2FN4OS2 and molecular weight 477.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,4-dichlorophenyl)-2-[[4-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: CBKinase1_002417, CBKinase1_014817, BRD-K79933602-001-01-3, N-(3,4-dichlorophenyl)-2-{[4-(4-fluorophenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(3,4-dichlorophenyl)-2-((4-(4-fluorophenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide
| Molecular Formula | C20H13Cl2FN4OS2 |
|---|---|
| Molecular Weight | 477.99 g/mol |
| LogP | 6.1725 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 477.9892 |
| Heavy Atoms | 30 |
| Complexity | 1180.252 |
Chemical Identifiers
| CAS Number | 693234-22-9 |
|---|---|
| SMILES | C1=CSC(=C1)C2=NN=C(N2C3=CC=C(C=C3)F)SCC(=O)NC4=CC(=C(C=C4)Cl)Cl |
Product Overview
CBKinase1_002417 (CAS 693234-22-9), with molecular formula C20H13Cl2FN4OS2 and molecular weight 477.99 g/mol. IUPAC: N-(3,4-dichlorophenyl)-2-[[4-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_002417
Property Insights of CBKinase1_002417
The XLogP value of 6.1725 indicates that CBKinase1_002417 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, CBKinase1_002417 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_002417 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_002417?
The CAS number of CBKinase1_002417 is 693234-22-9.
What is the molecular formula of CBKinase1_002417?
The molecular formula of CBKinase1_002417 is C20H13Cl2FN4OS2.
What is the molecular weight of CBKinase1_002417?
The molecular weight of CBKinase1_002417 is 477.99 g/mol.
Where can I buy CBKinase1_002417?
You can request a quote for CBKinase1_002417 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_002417?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_002417 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.