IFLab1_004335
TL;DR: IFLab1_004335 (CAS 327093-53-8) is a chemical compound with molecular formula C16H13N3O3S and molecular weight 327.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(furan-2-yl)-2-(4-methoxyphenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one
Also Known As: IFLab1_004335, IDI1_010090, 5-(furan-2-yl)-2-(4-methoxyphenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one, 5-(2-furyl)-2-(4-methoxyphenyl)-5,6-dihydro-7H-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one, 5-(2-furanyl)-2-(4-methoxyphenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one
| Molecular Formula | C16H13N3O3S |
|---|---|
| Molecular Weight | 327.07 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 95.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 327.06775 |
| Heavy Atoms | 23 |
| Complexity | 444.0 |
Chemical Identifiers
| CAS Number | 327093-53-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NN3C(=O)CC(SC3=N2)C4=CC=CO4 |
| InChIKey | AXBMNUDRRFIDSU-UHFFFAOYSA-N |
Product Overview
IFLab1_004335 (CAS 327093-53-8), with molecular formula C16H13N3O3S and molecular weight 327.07 g/mol. IUPAC: 5-(furan-2-yl)-2-(4-methoxyphenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one.
Chemical Property Profile of IFLab1_004335
Property Insights of IFLab1_004335
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IFLab1_004335. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_004335. Following Lipinski's Rule of Five, IFLab1_004335 has 0 hydrogen bond donor(s) and 6 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_004335?
The CAS number of IFLab1_004335 is 327093-53-8.
What is the molecular formula of IFLab1_004335?
The molecular formula of IFLab1_004335 is C16H13N3O3S.
What is the molecular weight of IFLab1_004335?
The molecular weight of IFLab1_004335 is 327.07 g/mol.
Where can I buy IFLab1_004335?
You can request a quote for IFLab1_004335 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_004335?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_004335 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.