CBKinase1_006596
TL;DR: CBKinase1_006596 (CAS 701273-89-4) is a chemical compound with molecular formula C26H23N5OS2 and molecular weight 485.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: CBKinase1_006596, CBKinase1_018996, BRD-K24527052-001-01-4, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-{[4-(4-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C26H23N5OS2 |
|---|---|
| Molecular Weight | 485.13 g/mol |
| LogP | 5.7855 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 485.1344 |
| Heavy Atoms | 34 |
| Complexity | 1366.9395 |
Chemical Identifiers
| CAS Number | 701273-89-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C4=C(S3)CCCC4)C#N)C5=CC=CC=C5 |
Product Overview
CBKinase1_006596 (CAS 701273-89-4), with molecular formula C26H23N5OS2 and molecular weight 485.13 g/mol. IUPAC: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_006596
Property Insights of CBKinase1_006596
The XLogP value of 5.7855 indicates that CBKinase1_006596 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_006596. Following Lipinski's Rule of Five, CBKinase1_006596 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_006596?
The CAS number of CBKinase1_006596 is 701273-89-4.
What is the molecular formula of CBKinase1_006596?
The molecular formula of CBKinase1_006596 is C26H23N5OS2.
What is the molecular weight of CBKinase1_006596?
The molecular weight of CBKinase1_006596 is 485.13 g/mol.
Where can I buy CBKinase1_006596?
You can request a quote for CBKinase1_006596 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_006596?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_006596 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.