CBKinase1_004695
TL;DR: CBKinase1_004695 (CAS 578005-35-3) is a chemical compound with molecular formula C21H20ClN5OS2 and molecular weight 457.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(3-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
Also Known As: CBKinase1_004695, CBKinase1_017095, BRD-K09092515-001-01-9, 2-[[5-(3-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide, 2-((5-(3-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)acetamide
| Molecular Formula | C21H20ClN5OS2 |
|---|---|
| Molecular Weight | 457.08 g/mol |
| LogP | 5.16118 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 457.07977 |
| Heavy Atoms | 30 |
| Complexity | 1131.1082 |
Chemical Identifiers
| CAS Number | 578005-35-3 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=C(C3=C(S2)CCCC3)C#N)C4=CC(=CC=C4)Cl |
Product Overview
CBKinase1_004695 (CAS 578005-35-3), with molecular formula C21H20ClN5OS2 and molecular weight 457.08 g/mol. IUPAC: 2-[[5-(3-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide.
Chemical Property Profile of CBKinase1_004695
Property Insights of CBKinase1_004695
The XLogP value of 5.16118 indicates that CBKinase1_004695 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_004695. Following Lipinski's Rule of Five, CBKinase1_004695 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_004695?
The CAS number of CBKinase1_004695 is 578005-35-3.
What is the molecular formula of CBKinase1_004695?
The molecular formula of CBKinase1_004695 is C21H20ClN5OS2.
What is the molecular weight of CBKinase1_004695?
The molecular weight of CBKinase1_004695 is 457.08 g/mol.
Where can I buy CBKinase1_004695?
You can request a quote for CBKinase1_004695 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004695?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004695 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.