CBKinase1_006557
TL;DR: CBKinase1_006557 (CAS 706776-87-6) is a chemical compound with molecular formula C16H16N4O2S2 and molecular weight 360.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylsulfanylphenyl)acetamide
Also Known As: CBKinase1_006557, CBKinase1_018957, BRD-K33591825-001-01-5, 2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylsulfanylphenyl)acetamide, 2-{[5-(furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]acetamide
| Molecular Formula | C16H16N4O2S2 |
|---|---|
| Molecular Weight | 360.07 g/mol |
| LogP | 3.5278 |
| Topological Polar Surface Area | 72.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 360.07147 |
| Heavy Atoms | 24 |
| Complexity | 830.4823 |
Chemical Identifiers
| CAS Number | 706776-87-6 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)SC)C3=CC=CO3 |
Product Overview
CBKinase1_006557 (CAS 706776-87-6), with molecular formula C16H16N4O2S2 and molecular weight 360.07 g/mol. IUPAC: 2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylsulfanylphenyl)acetamide.
Chemical Property Profile of CBKinase1_006557
Property Insights of CBKinase1_006557
The XLogP value of 3.5278 indicates that CBKinase1_006557 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.95 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_006557. Following Lipinski's Rule of Five, CBKinase1_006557 has 1 hydrogen bond donor(s) and 6 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_006557?
The CAS number of CBKinase1_006557 is 706776-87-6.
What is the molecular formula of CBKinase1_006557?
The molecular formula of CBKinase1_006557 is C16H16N4O2S2.
What is the molecular weight of CBKinase1_006557?
The molecular weight of CBKinase1_006557 is 360.07 g/mol.
Where can I buy CBKinase1_006557?
You can request a quote for CBKinase1_006557 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_006557?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_006557 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.