CBKinase1_002766
TL;DR: CBKinase1_002766 (CAS 335396-61-7) is a chemical compound with molecular formula C18H17BrN4O2S and molecular weight 432.03 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-(2-methoxyphenyl)acetamide
Also Known As: CBKinase1_002766, CBKinase1_015166, BAS 02255295, BRD-K09008526-001-01-2, 2-{[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide
| Molecular Formula | C18H17BrN4O2S |
|---|---|
| Molecular Weight | 432.03 g/mol |
| LogP | 3.984 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 432.02557 |
| Heavy Atoms | 26 |
| Complexity | 911.8095 |
Chemical Identifiers
| CAS Number | 335396-61-7 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2OC)C3=CC=C(C=C3)Br |
Product Overview
CBKinase1_002766 (CAS 335396-61-7), with molecular formula C18H17BrN4O2S and molecular weight 432.03 g/mol. IUPAC: 2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide.
Chemical Property Profile of CBKinase1_002766
Property Insights of CBKinase1_002766
The XLogP value of 3.984 indicates that CBKinase1_002766 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.04 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_002766. Following Lipinski's Rule of Five, CBKinase1_002766 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_002766?
The CAS number of CBKinase1_002766 is 335396-61-7.
What is the molecular formula of CBKinase1_002766?
The molecular formula of CBKinase1_002766 is C18H17BrN4O2S.
What is the molecular weight of CBKinase1_002766?
The molecular weight of CBKinase1_002766 is 432.03 g/mol.
Where can I buy CBKinase1_002766?
You can request a quote for CBKinase1_002766 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_002766?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_002766 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.