IFLab1_004576
TL;DR: IFLab1_004576 (CAS 433246-87-8) is a chemical compound with molecular formula C16H13N3O2S and molecular weight 311.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(furan-2-yl)-2-(4-methylphenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one
Also Known As: IFLab1_004576, IDI1_010331, AF-399/40891621, 5-(2-furyl)-2-(4-methylphenyl)-5,6-dihydro-7H-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one, 5-(2-furyl)-2-(4-methylphenyl)-5H,6H-1,2,4-triazolo[5,1-b]1,3-thiazaperhydroin -7-one
| Molecular Formula | C16H13N3O2S |
|---|---|
| Molecular Weight | 311.07 g/mol |
| LogP | 3.72382 |
| Topological Polar Surface Area | 60.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 311.07285 |
| Heavy Atoms | 22 |
| Complexity | 821.7103 |
Chemical Identifiers
| CAS Number | 433246-87-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN3C(=O)CC(SC3=N2)C4=CC=CO4 |
Product Overview
IFLab1_004576 (CAS 433246-87-8), with molecular formula C16H13N3O2S and molecular weight 311.07 g/mol. IUPAC: 5-(furan-2-yl)-2-(4-methylphenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one.
Chemical Property Profile of IFLab1_004576
Property Insights of IFLab1_004576
The XLogP value of 3.72382 indicates that IFLab1_004576 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.92 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_004576. Following Lipinski's Rule of Five, IFLab1_004576 has 0 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_004576?
The CAS number of IFLab1_004576 is 433246-87-8.
What is the molecular formula of IFLab1_004576?
The molecular formula of IFLab1_004576 is C16H13N3O2S.
What is the molecular weight of IFLab1_004576?
The molecular weight of IFLab1_004576 is 311.07 g/mol.
Where can I buy IFLab1_004576?
You can request a quote for IFLab1_004576 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_004576?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_004576 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.