CBKinase1_007604
TL;DR: CBKinase1_007604 (CAS 708280-40-4) is a chemical compound with molecular formula C26H31N5OS2 and molecular weight 493.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: CBKinase1_007604, CBKinase1_020004, BRD-A92407675-001-01-5, N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-{[4-ethyl-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C26H31N5OS2 |
|---|---|
| Molecular Weight | 493.20 g/mol |
| LogP | 6.0884 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 493.197 |
| Heavy Atoms | 34 |
| Complexity | 1245.0951 |
Chemical Identifiers
| CAS Number | 708280-40-4 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C#N)C4=CC=CC(=C4)C |
Product Overview
CBKinase1_007604 (CAS 708280-40-4), with molecular formula C26H31N5OS2 and molecular weight 493.20 g/mol. IUPAC: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_007604
Property Insights of CBKinase1_007604
The XLogP value of 6.0884 indicates that CBKinase1_007604 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_007604. Following Lipinski's Rule of Five, CBKinase1_007604 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CBKinase1_007604?
The CAS number of CBKinase1_007604 is 708280-40-4.
What is the molecular formula of CBKinase1_007604?
The molecular formula of CBKinase1_007604 is C26H31N5OS2.
What is the molecular weight of CBKinase1_007604?
The molecular weight of CBKinase1_007604 is 493.20 g/mol.
Where can I buy CBKinase1_007604?
You can request a quote for CBKinase1_007604 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_007604?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_007604 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.