IFLab1_002042
TL;DR: IFLab1_002042 (CAS 325474-15-5) is a chemical compound with molecular formula C18H15FN2O4 and molecular weight 342.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-fluorophenyl)-(pyridin-2-ylamino)methyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one
Also Known As: IFLab1_002042, 2-[(4-fluorophenyl)(pyridin-2-ylamino)methyl]-3-hydroxy-6-(hydroxymethyl)-4H-pyran-4-one, 2-[(4-fluorophenyl)(2-pyridylamino)methyl]-3-hydroxy-6-(hydroxymethyl)pyran-4- one, 2-[(4-fluorophenyl)-(pyridin-2-ylamino)methyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one, 2-[(4-fluorophenyl)[(pyridin-2-yl)amino]methyl]-3-hydroxy-6-(hydroxymethyl)-4H-pyran-4-one
| Molecular Formula | C18H15FN2O4 |
|---|---|
| Molecular Weight | 342.10 g/mol |
| LogP | 2.5733 |
| Topological Polar Surface Area | 95.59 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 342.1016 |
| Heavy Atoms | 25 |
| Complexity | 910.60925 |
Chemical Identifiers
| CAS Number | 325474-15-5 |
|---|---|
| SMILES | C1=CC=NC(=C1)NC(C2=CC=C(C=C2)F)C3=C(C(=O)C=C(O3)CO)O |
Product Overview
IFLab1_002042 (CAS 325474-15-5), with molecular formula C18H15FN2O4 and molecular weight 342.10 g/mol. IUPAC: 2-[(4-fluorophenyl)-(pyridin-2-ylamino)methyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one.
Chemical Property Profile of IFLab1_002042
Property Insights of IFLab1_002042
The XLogP value of 2.5733 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IFLab1_002042. The TPSA of 95.59 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_002042. Following Lipinski's Rule of Five, IFLab1_002042 has 3 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_002042?
The CAS number of IFLab1_002042 is 325474-15-5.
What is the molecular formula of IFLab1_002042?
The molecular formula of IFLab1_002042 is C18H15FN2O4.
What is the molecular weight of IFLab1_002042?
The molecular weight of IFLab1_002042 is 342.10 g/mol.
Where can I buy IFLab1_002042?
You can request a quote for IFLab1_002042 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_002042?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_002042 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.