CBKinase1_004333
TL;DR: CBKinase1_004333 (CAS 694467-99-7) is a chemical compound with molecular formula C17H13Cl3N4OS and molecular weight 425.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide
Also Known As: CBKinase1_004333, CBKinase1_016733, BRD-K93659689-001-01-2, 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide, 2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide
| Molecular Formula | C17H13Cl3N4OS |
|---|---|
| Molecular Weight | 425.99 g/mol |
| LogP | 5.1731 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 425.98758 |
| Heavy Atoms | 26 |
| Complexity | 946.6811 |
Chemical Identifiers
| CAS Number | 694467-99-7 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2Cl)Cl)Cl)C3=CC=CC=C3 |
Product Overview
CBKinase1_004333 (CAS 694467-99-7), with molecular formula C17H13Cl3N4OS and molecular weight 425.99 g/mol. IUPAC: 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide.
Chemical Property Profile of CBKinase1_004333
Property Insights of CBKinase1_004333
The XLogP value of 5.1731 indicates that CBKinase1_004333 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_004333 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_004333 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_004333?
The CAS number of CBKinase1_004333 is 694467-99-7.
What is the molecular formula of CBKinase1_004333?
The molecular formula of CBKinase1_004333 is C17H13Cl3N4OS.
What is the molecular weight of CBKinase1_004333?
The molecular weight of CBKinase1_004333 is 425.99 g/mol.
Where can I buy CBKinase1_004333?
You can request a quote for CBKinase1_004333 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004333?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004333 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.