ChemDiv2_006736
TL;DR: ChemDiv2_006736 (CAS 831187-46-3) is a chemical compound with molecular formula C17H19N5OS and molecular weight 341.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(1H-indol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone
Also Known As: ChemDiv2_006736, IFLab1_002847, IDI1_005451, IDI1_009306, F0653-0011
| Molecular Formula | C17H19N5OS |
|---|---|
| Molecular Weight | 341.13 g/mol |
| LogP | 2.6779 |
| Topological Polar Surface Area | 66.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 341.13104 |
| Heavy Atoms | 24 |
| Complexity | 878.1235 |
Chemical Identifiers
| CAS Number | 831187-46-3 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)N2CCCC2)C3=CNC4=CC=CC=C43 |
Product Overview
ChemDiv2_006736 (CAS 831187-46-3), with molecular formula C17H19N5OS and molecular weight 341.13 g/mol. IUPAC: 2-[[5-(1H-indol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone.
Chemical Property Profile of ChemDiv2_006736
Property Insights of ChemDiv2_006736
The XLogP value of 2.6779 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_006736. The TPSA of 66.81 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_006736. Following Lipinski's Rule of Five, ChemDiv2_006736 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 ChemDiv2_006736?
The CAS number of ChemDiv2_006736 is 831187-46-3.
What is the molecular formula of ChemDiv2_006736?
The molecular formula of ChemDiv2_006736 is C17H19N5OS.
What is the molecular weight of ChemDiv2_006736?
The molecular weight of ChemDiv2_006736 is 341.13 g/mol.
Where can I buy ChemDiv2_006736?
You can request a quote for ChemDiv2_006736 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_006736?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_006736 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.