CTK4G0708
TL;DR: CTK4G0708 (CAS 280571-41-7) is a chemical compound with molecular formula C16H12FN3O3 and molecular weight 313.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[(4-fluorophenyl)methyl]furan-3-yl]-3-hydroxy-1-(1H-1,2,4-triazol-5-yl)prop-2-en-1-one
Also Known As: 2-Propen-1-one,1-[2-[(4-fluorophenyl)methyl]-3-furanyl]-3-hydroxy-3-(1H-1,2,4-triazol-5-yl)-
| Molecular Formula | C16H12FN3O3 |
|---|---|
| Molecular Weight | 313.09 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 92.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.08627 |
| Heavy Atoms | 23 |
| Complexity | 452.0 |
Chemical Identifiers
| CAS Number | 280571-41-7 |
|---|---|
| SMILES | C1=CC(=CC=C1CC2=C(C=CO2)C(=CC(=O)C3=NC=NN3)O)F |
| InChIKey | IWYWSUMSKDPAHQ-UHFFFAOYSA-N |
Product Overview
CTK4G0708 (CAS 280571-41-7), with molecular formula C16H12FN3O3 and molecular weight 313.09 g/mol. IUPAC: 3-[2-[(4-fluorophenyl)methyl]furan-3-yl]-3-hydroxy-1-(1H-1,2,4-triazol-5-yl)prop-2-en-1-one.
Chemical Property Profile of CTK4G0708
Property Insights of CTK4G0708
The XLogP value of 3.2 indicates that CTK4G0708 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.0 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK4G0708. Following Lipinski's Rule of Five, CTK4G0708 has 2 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 CTK4G0708?
The CAS number of CTK4G0708 is 280571-41-7.
What is the molecular formula of CTK4G0708?
The molecular formula of CTK4G0708 is C16H12FN3O3.
What is the molecular weight of CTK4G0708?
The molecular weight of CTK4G0708 is 313.09 g/mol.
Where can I buy CTK4G0708?
You can request a quote for CTK4G0708 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK4G0708?
Yes, KEHONG BIO provides custom synthesis services for CTK4G0708 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.