CBKinase1_008561
TL;DR: CBKinase1_008561 (CAS 917203-36-2) is a chemical compound with molecular formula C22H21BrN6OS and molecular weight 496.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(3-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
Also Known As: CBKinase1_008561, CBKinase1_020961, BRD-K00153599-001-01-7, 2-[[5-(3-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide, 2-{[5-(3-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)acetamide
| Molecular Formula | C22H21BrN6OS |
|---|---|
| Molecular Weight | 496.07 g/mol |
| LogP | 4.77794 |
| Topological Polar Surface Area | 77.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 496.06808 |
| Heavy Atoms | 31 |
| Complexity | 1234.2894 |
Chemical Identifiers
| CAS Number | 917203-36-2 |
|---|---|
| SMILES | CC1=C(C(=NN1C)C)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC(=CC=C4)Br |
Product Overview
CBKinase1_008561 (CAS 917203-36-2), with molecular formula C22H21BrN6OS and molecular weight 496.07 g/mol. IUPAC: 2-[[5-(3-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.
Chemical Property Profile of CBKinase1_008561
Property Insights of CBKinase1_008561
The XLogP value of 4.77794 indicates that CBKinase1_008561 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.63 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_008561. Following Lipinski's Rule of Five, CBKinase1_008561 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_008561?
The CAS number of CBKinase1_008561 is 917203-36-2.
What is the molecular formula of CBKinase1_008561?
The molecular formula of CBKinase1_008561 is C22H21BrN6OS.
What is the molecular weight of CBKinase1_008561?
The molecular weight of CBKinase1_008561 is 496.07 g/mol.
Where can I buy CBKinase1_008561?
You can request a quote for CBKinase1_008561 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_008561?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_008561 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.