CBKinase1_007824
TL;DR: CBKinase1_007824 (CAS 488705-46-0) is a chemical compound with molecular formula C22H21N5O3S2 and molecular weight 467.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-acetylphenyl)-2-[(7-methyl-8-oxo-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-3-yl)sulfanyl]acetamide
Also Known As: CBKinase1_007824, CBKinase1_020224, BRD-K98124480-001-01-3, N-(4-acetylphenyl)-2-((4-methyl-5-oxo-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetamide, N-(4-acetylphenyl)-2-[(4-methyl-5-oxo-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]acetamide
| Molecular Formula | C22H21N5O3S2 |
|---|---|
| Molecular Weight | 467.11 g/mol |
| LogP | 3.4549 |
| Topological Polar Surface Area | 98.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 467.10858 |
| Heavy Atoms | 32 |
| Complexity | 1432.3102 |
Chemical Identifiers
| CAS Number | 488705-46-0 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C3N2C4=C(C5=C(S4)CCCC5)C(=O)N3C |
Product Overview
CBKinase1_007824 (CAS 488705-46-0), with molecular formula C22H21N5O3S2 and molecular weight 467.11 g/mol. IUPAC: N-(4-acetylphenyl)-2-[(7-methyl-8-oxo-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-3-yl)sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_007824
Property Insights of CBKinase1_007824
The XLogP value of 3.4549 indicates that CBKinase1_007824 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.36 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_007824. Following Lipinski's Rule of Five, CBKinase1_007824 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_007824?
The CAS number of CBKinase1_007824 is 488705-46-0.
What is the molecular formula of CBKinase1_007824?
The molecular formula of CBKinase1_007824 is C22H21N5O3S2.
What is the molecular weight of CBKinase1_007824?
The molecular weight of CBKinase1_007824 is 467.11 g/mol.
Where can I buy CBKinase1_007824?
You can request a quote for CBKinase1_007824 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_007824?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_007824 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.