CBKinase1_007587
TL;DR: CBKinase1_007587 (CAS 708292-59-5) is a chemical compound with molecular formula C21H20N4O3S2 and molecular weight 440.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(7-methoxy-1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylsulfanylphenyl)acetamide
Also Known As: CBKinase1_007587, CBKinase1_019987, BRD-K56261108-001-01-5, 2-[[5-(7-methoxy-1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylsulfanylphenyl)acetamide, 2-{[5-(7-methoxy-1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]acetamide
| Molecular Formula | C21H20N4O3S2 |
|---|---|
| Molecular Weight | 440.10 g/mol |
| LogP | 4.6896 |
| Topological Polar Surface Area | 82.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 440.0977 |
| Heavy Atoms | 30 |
| Complexity | 1202.16 |
Chemical Identifiers
| CAS Number | 708292-59-5 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)SC)C3=CC4=C(O3)C(=CC=C4)OC |
Product Overview
CBKinase1_007587 (CAS 708292-59-5), with molecular formula C21H20N4O3S2 and molecular weight 440.10 g/mol. IUPAC: 2-[[5-(7-methoxy-1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylsulfanylphenyl)acetamide.
Chemical Property Profile of CBKinase1_007587
Property Insights of CBKinase1_007587
The XLogP value of 4.6896 indicates that CBKinase1_007587 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.18 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_007587. Following Lipinski's Rule of Five, CBKinase1_007587 has 1 hydrogen bond donor(s) and 7 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_007587?
The CAS number of CBKinase1_007587 is 708292-59-5.
What is the molecular formula of CBKinase1_007587?
The molecular formula of CBKinase1_007587 is C21H20N4O3S2.
What is the molecular weight of CBKinase1_007587?
The molecular weight of CBKinase1_007587 is 440.10 g/mol.
Where can I buy CBKinase1_007587?
You can request a quote for CBKinase1_007587 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_007587?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_007587 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.