IFLab1_005958
TL;DR: IFLab1_005958 (CAS 379239-62-0) is a chemical compound with molecular formula C17H18N4OS and molecular weight 326.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-1-pyrrolidin-1-ylethanone
Also Known As: IFLab1_005958, BAS 03206414, IDI1_011361, F1441-0205, AF-399/40920994
| Molecular Formula | C17H18N4OS |
|---|---|
| Molecular Weight | 326.12 g/mol |
| LogP | 2.90542 |
| Topological Polar Surface Area | 50.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 326.12012 |
| Heavy Atoms | 23 |
| Complexity | 882.81226 |
Chemical Identifiers
| CAS Number | 379239-62-0 |
|---|---|
| SMILES | CC1=CC2=NN=C(N2C3=CC=CC=C13)SCC(=O)N4CCCC4 |
Product Overview
IFLab1_005958 (CAS 379239-62-0), with molecular formula C17H18N4OS and molecular weight 326.12 g/mol. IUPAC: 2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-1-pyrrolidin-1-ylethanone.
Chemical Property Profile of IFLab1_005958
Property Insights of IFLab1_005958
The XLogP value of 2.90542 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IFLab1_005958. With a topological polar surface area (TPSA) of 50.5 Ų, IFLab1_005958 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, IFLab1_005958 has 0 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 IFLab1_005958?
The CAS number of IFLab1_005958 is 379239-62-0.
What is the molecular formula of IFLab1_005958?
The molecular formula of IFLab1_005958 is C17H18N4OS.
What is the molecular weight of IFLab1_005958?
The molecular weight of IFLab1_005958 is 326.12 g/mol.
Where can I buy IFLab1_005958?
You can request a quote for IFLab1_005958 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_005958?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_005958 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.