ChemDiv3_009958
TL;DR: ChemDiv3_009958 (CAS 832680-30-5) is a chemical compound with molecular formula C23H23N5OS and molecular weight 417.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[4-ethyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
Also Known As: ChemDiv3_009958, CBKinase1_012018, CBKinase1_024418, IDI1_027868, 2-{[4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one
| Molecular Formula | C23H23N5OS |
|---|---|
| Molecular Weight | 417.16 g/mol |
| LogP | 4.5178 |
| Topological Polar Surface Area | 66.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 417.16232 |
| Heavy Atoms | 30 |
| Complexity | 1211.263 |
Chemical Identifiers
| CAS Number | 832680-30-5 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)N2CCCC3=CC=CC=C32)C4=CNC5=CC=CC=C54 |
Product Overview
ChemDiv3_009958 (CAS 832680-30-5), with molecular formula C23H23N5OS and molecular weight 417.16 g/mol. IUPAC: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[4-ethyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanone.
Chemical Property Profile of ChemDiv3_009958
Property Insights of ChemDiv3_009958
The XLogP value of 4.5178 indicates that ChemDiv3_009958 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 ChemDiv3_009958. Following Lipinski's Rule of Five, ChemDiv3_009958 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 ChemDiv3_009958?
The CAS number of ChemDiv3_009958 is 832680-30-5.
What is the molecular formula of ChemDiv3_009958?
The molecular formula of ChemDiv3_009958 is C23H23N5OS.
What is the molecular weight of ChemDiv3_009958?
The molecular weight of ChemDiv3_009958 is 417.16 g/mol.
Where can I buy ChemDiv3_009958?
You can request a quote for ChemDiv3_009958 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_009958?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_009958 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.