CBKinase1_011743
TL;DR: CBKinase1_011743 (CAS 832090-80-9) is a chemical compound with molecular formula C22H21N5OS and molecular weight 403.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,3-dihydroindol-1-yl)-2-[[4-ethyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
Also Known As: CBKinase1_011743, CBKinase1_024143, BRD-K71962885-001-01-8, 1-(2,3-dihydro-1H-indol-1-yl)-2-{[4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one, 3-(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]thio}-4-ethyl-4H-1,2,4-triazol-3-yl)-1H-indole
| Molecular Formula | C22H21N5OS |
|---|---|
| Molecular Weight | 403.15 g/mol |
| LogP | 4.1277 |
| Topological Polar Surface Area | 66.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.14667 |
| Heavy Atoms | 29 |
| Complexity | 1194.8661 |
Chemical Identifiers
| CAS Number | 832090-80-9 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)N2CCC3=CC=CC=C32)C4=CNC5=CC=CC=C54 |
Product Overview
CBKinase1_011743 (CAS 832090-80-9), with molecular formula C22H21N5OS and molecular weight 403.15 g/mol. IUPAC: 1-(2,3-dihydroindol-1-yl)-2-[[4-ethyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanone.
Chemical Property Profile of CBKinase1_011743
Property Insights of CBKinase1_011743
The XLogP value of 4.1277 indicates that CBKinase1_011743 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.81 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_011743. Following Lipinski's Rule of Five, CBKinase1_011743 has 1 hydrogen bond donor(s) and 4 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_011743?
The CAS number of CBKinase1_011743 is 832090-80-9.
What is the molecular formula of CBKinase1_011743?
The molecular formula of CBKinase1_011743 is C22H21N5OS.
What is the molecular weight of CBKinase1_011743?
The molecular weight of CBKinase1_011743 is 403.15 g/mol.
Where can I buy CBKinase1_011743?
You can request a quote for CBKinase1_011743 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_011743?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_011743 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.