AB00490342-04
TL;DR: AB00490342-04 (CAS 690641-38-4) 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-[(3-fluorophenyl)-(pyridin-2-ylamino)methyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one
Also Known As: AB00490342-04, F1654-0461, 2-[(3-fluorophenyl)-(2-pyridinylamino)methyl]-3-hydroxy-6-(hydroxymethyl)-4-pyranone, 2-[(3-fluorophenyl)-(pyridin-2-ylamino)methyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one, 2-[(3-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 | 927.85925 |
Chemical Identifiers
| CAS Number | 690641-38-4 |
|---|---|
| SMILES | C1=CC=NC(=C1)NC(C2=CC(=CC=C2)F)C3=C(C(=O)C=C(O3)CO)O |
Product Overview
AB00490342-04 (CAS 690641-38-4), with molecular formula C18H15FN2O4 and molecular weight 342.10 g/mol. IUPAC: 2-[(3-fluorophenyl)-(pyridin-2-ylamino)methyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one.
Chemical Property Profile of AB00490342-04
Property Insights of AB00490342-04
The XLogP value of 2.5733 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00490342-04. The TPSA of 95.59 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00490342-04. Following Lipinski's Rule of Five, AB00490342-04 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 AB00490342-04?
The CAS number of AB00490342-04 is 690641-38-4.
What is the molecular formula of AB00490342-04?
The molecular formula of AB00490342-04 is C18H15FN2O4.
What is the molecular weight of AB00490342-04?
The molecular weight of AB00490342-04 is 342.10 g/mol.
Where can I buy AB00490342-04?
You can request a quote for AB00490342-04 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00490342-04?
Yes, KEHONG BIO provides custom synthesis services for AB00490342-04 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.