IFLab1_003404
TL;DR: IFLab1_003404 (CAS 303033-59-2) is a chemical compound with molecular formula C16H13FN2O4S and molecular weight 348.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-fluorophenyl)-(1,3-thiazol-2-ylamino)methyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one
Also Known As: IFLab1_003404, 2-[(4-fluorophenyl)(1,3-thiazol-2-ylamino)methyl]-3-hydroxy-6-(hydroxymethyl)p yran-4-one, 2-[(4-fluorophenyl)-(1,3-thiazol-2-ylamino)methyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one, 2-[(4-fluorophenyl)(1,3-thiazol-2-ylamino)methyl]-3-hydroxy-6-(hydroxymethyl)-4H-pyran-4-one, 2-[(4-fluorophenyl)[(1,3-thiazol-2-yl)amino]methyl]-3-hydroxy-6-(hydroxymethyl)-4H-pyran-4-one
| Molecular Formula | C16H13FN2O4S |
|---|---|
| Molecular Weight | 348.06 g/mol |
| LogP | 2.6348 |
| Topological Polar Surface Area | 95.59 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 348.058 |
| Heavy Atoms | 24 |
| Complexity | 878.09314 |
Chemical Identifiers
| CAS Number | 303033-59-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C(C2=C(C(=O)C=C(O2)CO)O)NC3=NC=CS3)F |
Product Overview
IFLab1_003404 (CAS 303033-59-2), with molecular formula C16H13FN2O4S and molecular weight 348.06 g/mol. IUPAC: 2-[(4-fluorophenyl)-(1,3-thiazol-2-ylamino)methyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one.
Chemical Property Profile of IFLab1_003404
Property Insights of IFLab1_003404
The XLogP value of 2.6348 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IFLab1_003404. The TPSA of 95.59 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_003404. Following Lipinski's Rule of Five, IFLab1_003404 has 3 hydrogen bond donor(s) and 7 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_003404?
The CAS number of IFLab1_003404 is 303033-59-2.
What is the molecular formula of IFLab1_003404?
The molecular formula of IFLab1_003404 is C16H13FN2O4S.
What is the molecular weight of IFLab1_003404?
The molecular weight of IFLab1_003404 is 348.06 g/mol.
Where can I buy IFLab1_003404?
You can request a quote for IFLab1_003404 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_003404?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_003404 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.