IFLab1_005787
TL;DR: IFLab1_005787 (CAS 671199-41-0) is a chemical compound with molecular formula C18H20N4O2S and molecular weight 356.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
Also Known As: IFLab1_005787, IDI1_011190, 2-({4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl}sulfanyl)-N-[(oxolan-2-yl)methyl]acetamide, 2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(oxolan-2-ylmethyl)acetamide, 2-((4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide
| Molecular Formula | C18H20N4O2S |
|---|---|
| Molecular Weight | 356.13 g/mol |
| LogP | 2.57822 |
| Topological Polar Surface Area | 68.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 356.1307 |
| Heavy Atoms | 25 |
| Complexity | 917.97125 |
Chemical Identifiers
| CAS Number | 671199-41-0 |
|---|---|
| SMILES | CC1=CC2=CC=CC=C2N3C1=NN=C3SCC(=O)NCC4CCCO4 |
Product Overview
IFLab1_005787 (CAS 671199-41-0), with molecular formula C18H20N4O2S and molecular weight 356.13 g/mol. IUPAC: 2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(oxolan-2-ylmethyl)acetamide.
Chemical Property Profile of IFLab1_005787
Property Insights of IFLab1_005787
The XLogP value of 2.57822 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IFLab1_005787. The TPSA of 68.52 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_005787. Following Lipinski's Rule of Five, IFLab1_005787 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 IFLab1_005787?
The CAS number of IFLab1_005787 is 671199-41-0.
What is the molecular formula of IFLab1_005787?
The molecular formula of IFLab1_005787 is C18H20N4O2S.
What is the molecular weight of IFLab1_005787?
The molecular weight of IFLab1_005787 is 356.13 g/mol.
Where can I buy IFLab1_005787?
You can request a quote for IFLab1_005787 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_005787?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_005787 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.