ChemDiv2_004760
TL;DR: ChemDiv2_004760 (CAS 892223-58-4) is a chemical compound with molecular formula C20H17N5OS and molecular weight 375.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1H-indol-6-yl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
Also Known As: ChemDiv2_004760, IDI1_003475, ethanone,1-(1h-indol-6-yl)-2-[[4-(2-propen-1-yl)-5-(3-pyridinyl)-4h-1,2,4-triazol-3-yl]thio]-, 1-(1H-indol-6-yl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
| Molecular Formula | C20H17N5OS |
|---|---|
| Molecular Weight | 375.12 g/mol |
| LogP | 3.9824 |
| Topological Polar Surface Area | 76.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 375.1154 |
| Heavy Atoms | 27 |
| Complexity | 1099.978 |
Chemical Identifiers
| CAS Number | 892223-58-4 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC(=O)C2=CC3=C(C=C2)C=CN3)C4=CN=CC=C4 |
Product Overview
ChemDiv2_004760 (CAS 892223-58-4), with molecular formula C20H17N5OS and molecular weight 375.12 g/mol. IUPAC: 1-(1H-indol-6-yl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone.
Chemical Property Profile of ChemDiv2_004760
Property Insights of ChemDiv2_004760
The XLogP value of 3.9824 indicates that ChemDiv2_004760 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.46 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_004760. Following Lipinski's Rule of Five, ChemDiv2_004760 has 1 hydrogen bond donor(s) and 5 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 ChemDiv2_004760?
The CAS number of ChemDiv2_004760 is 892223-58-4.
What is the molecular formula of ChemDiv2_004760?
The molecular formula of ChemDiv2_004760 is C20H17N5OS.
What is the molecular weight of ChemDiv2_004760?
The molecular weight of ChemDiv2_004760 is 375.12 g/mol.
Where can I buy ChemDiv2_004760?
You can request a quote for ChemDiv2_004760 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_004760?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_004760 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.