CBKinase1_004163
TL;DR: CBKinase1_004163 (CAS 694466-40-5) is a chemical compound with molecular formula C18H17BrN4OS2 and molecular weight 448.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylsulfanylphenyl)acetamide
Also Known As: CBKinase1_004163, CBKinase1_016563, AN-698/42116246, BRD-K65738822-001-01-6, 2-{[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]acetamide
| Molecular Formula | C18H17BrN4OS2 |
|---|---|
| Molecular Weight | 448.00 g/mol |
| LogP | 4.6973 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 448.00272 |
| Heavy Atoms | 26 |
| Complexity | 911.8095 |
Chemical Identifiers
| CAS Number | 694466-40-5 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)SC)C3=CC=C(C=C3)Br |
Product Overview
CBKinase1_004163 (CAS 694466-40-5), with molecular formula C18H17BrN4OS2 and molecular weight 448.00 g/mol. IUPAC: 2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylsulfanylphenyl)acetamide.
Chemical Property Profile of CBKinase1_004163
Property Insights of CBKinase1_004163
The XLogP value of 4.6973 indicates that CBKinase1_004163 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_004163 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_004163 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CBKinase1_004163?
The CAS number of CBKinase1_004163 is 694466-40-5.
What is the molecular formula of CBKinase1_004163?
The molecular formula of CBKinase1_004163 is C18H17BrN4OS2.
What is the molecular weight of CBKinase1_004163?
The molecular weight of CBKinase1_004163 is 448.00 g/mol.
Where can I buy CBKinase1_004163?
You can request a quote for CBKinase1_004163 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004163?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004163 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.