CBKinase1_009416
TL;DR: CBKinase1_009416 (CAS 577985-91-2) is a chemical compound with molecular formula C21H20ClN5O2S2 and molecular weight 473.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chlorophenyl)-2-[(7-ethyl-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_009416, CBKinase1_021816, BRD-K75461261-001-01-1, N-(4-chlorophenyl)-2-((4-ethyl-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-chlorophenyl)-2-[(4-ethyl-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 | C21H20ClN5O2S2 |
|---|---|
| Molecular Weight | 473.07 g/mol |
| LogP | 4.3886 |
| Topological Polar Surface Area | 81.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 473.0747 |
| Heavy Atoms | 31 |
| Complexity | 1356.6064 |
Chemical Identifiers
| CAS Number | 577985-91-2 |
|---|---|
| SMILES | CCN1C(=O)C2=C(N3C1=NN=C3SCC(=O)NC4=CC=C(C=C4)Cl)SC5=C2CCCC5 |
Product Overview
CBKinase1_009416 (CAS 577985-91-2), with molecular formula C21H20ClN5O2S2 and molecular weight 473.07 g/mol. IUPAC: N-(4-chlorophenyl)-2-[(7-ethyl-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_009416
Property Insights of CBKinase1_009416
The XLogP value of 4.3886 indicates that CBKinase1_009416 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.29 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_009416. Following Lipinski's Rule of Five, CBKinase1_009416 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_009416?
The CAS number of CBKinase1_009416 is 577985-91-2.
What is the molecular formula of CBKinase1_009416?
The molecular formula of CBKinase1_009416 is C21H20ClN5O2S2.
What is the molecular weight of CBKinase1_009416?
The molecular weight of CBKinase1_009416 is 473.07 g/mol.
Where can I buy CBKinase1_009416?
You can request a quote for CBKinase1_009416 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_009416?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_009416 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.