CBKinase1_008035
TL;DR: CBKinase1_008035 (CAS 908229-57-2) is a chemical compound with molecular formula C17H20N6OS and molecular weight 356.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
Also Known As: CBKinase1_008035, CBKinase1_020435, AO-080/42576444, BRD-K88763787-001-01-0, 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
| Molecular Formula | C17H20N6OS |
|---|---|
| Molecular Weight | 356.14 g/mol |
| LogP | 2.65686 |
| Topological Polar Surface Area | 77.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 356.14194 |
| Heavy Atoms | 25 |
| Complexity | 899.5064 |
Chemical Identifiers
| CAS Number | 908229-57-2 |
|---|---|
| SMILES | CC1=C(C(=NN1C)C)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C |
Product Overview
CBKinase1_008035 (CAS 908229-57-2), with molecular formula C17H20N6OS and molecular weight 356.14 g/mol. IUPAC: 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.
Chemical Property Profile of CBKinase1_008035
Property Insights of CBKinase1_008035
The XLogP value of 2.65686 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_008035. The TPSA of 77.63 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_008035. Following Lipinski's Rule of Five, CBKinase1_008035 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_008035?
The CAS number of CBKinase1_008035 is 908229-57-2.
What is the molecular formula of CBKinase1_008035?
The molecular formula of CBKinase1_008035 is C17H20N6OS.
What is the molecular weight of CBKinase1_008035?
The molecular weight of CBKinase1_008035 is 356.14 g/mol.
Where can I buy CBKinase1_008035?
You can request a quote for CBKinase1_008035 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_008035?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_008035 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.