CBKinase1_004674
TL;DR: CBKinase1_004674 (CAS 677294-28-9) is a chemical compound with molecular formula C20H24N4OS2 and molecular weight 400.14 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-methylpyrimidin-2-yl)sulfanylacetamide
Also Known As: CBKinase1_004674, CBKinase1_017074, BRD-A15897893-001-01-7, N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide, N-(6-(tert-butyl)-3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2-((4-methylpyrimidin-2-yl)thio)acetamide
| Molecular Formula | C20H24N4OS2 |
|---|---|
| Molecular Weight | 400.14 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 78.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 400.13916 |
| Heavy Atoms | 27 |
| Complexity | 892.3623 |
Chemical Identifiers
| CAS Number | 677294-28-9 |
|---|---|
| SMILES | CC1=NC(=NC=C1)SCC(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C#N |
Product Overview
CBKinase1_004674 (CAS 677294-28-9), with molecular formula C20H24N4OS2 and molecular weight 400.14 g/mol. IUPAC: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide.
Chemical Property Profile of CBKinase1_004674
Property Insights of CBKinase1_004674
The XLogP value of 4.6 indicates that CBKinase1_004674 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.67 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_004674. Following Lipinski's Rule of Five, CBKinase1_004674 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_004674?
The CAS number of CBKinase1_004674 is 677294-28-9.
What is the molecular formula of CBKinase1_004674?
The molecular formula of CBKinase1_004674 is C20H24N4OS2.
What is the molecular weight of CBKinase1_004674?
The molecular weight of CBKinase1_004674 is 400.14 g/mol.
Where can I buy CBKinase1_004674?
You can request a quote for CBKinase1_004674 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004674?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004674 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.