CBKinase1_005972
TL;DR: CBKinase1_005972 (CAS 701229-40-5) is a chemical compound with molecular formula C18H14Cl3FN4OS and molecular weight 457.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-fluorophenyl)-2-[[5-(2,4-dichlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: CBKinase1_005972, CBKinase1_018372, BRD-K91785810-001-01-9, N-(3-chloro-4-fluorophenyl)-2-[[5-(2,4-dichlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(3-chloro-4-fluorophenyl)-2-{[5-(2,4-dichlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C18H14Cl3FN4OS |
|---|---|
| Molecular Weight | 457.99 g/mol |
| LogP | 5.7951 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 457.9938 |
| Heavy Atoms | 28 |
| Complexity | 1028.0604 |
Chemical Identifiers
| CAS Number | 701229-40-5 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)F)Cl)C3=C(C=C(C=C3)Cl)Cl |
Product Overview
CBKinase1_005972 (CAS 701229-40-5), with molecular formula C18H14Cl3FN4OS and molecular weight 457.99 g/mol. IUPAC: N-(3-chloro-4-fluorophenyl)-2-[[5-(2,4-dichlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_005972
Property Insights of CBKinase1_005972
The XLogP value of 5.7951 indicates that CBKinase1_005972 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_005972 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_005972 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CBKinase1_005972?
The CAS number of CBKinase1_005972 is 701229-40-5.
What is the molecular formula of CBKinase1_005972?
The molecular formula of CBKinase1_005972 is C18H14Cl3FN4OS.
What is the molecular weight of CBKinase1_005972?
The molecular weight of CBKinase1_005972 is 457.99 g/mol.
Where can I buy CBKinase1_005972?
You can request a quote for CBKinase1_005972 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_005972?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_005972 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.