CTK4G0701
TL;DR: CTK4G0701 (CAS 280571-04-2) is a chemical compound with molecular formula C16H13FN4O2 and molecular weight 312.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[(4-fluorophenyl)methyl]-1H-pyrrol-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-[4-[(4-fluorophenyl)methyl]-1H-pyrrol-3-yl]-3-hydroxy-3-(1H-1,2,4-triazol-5-yl)-
| Molecular Formula | C16H13FN4O2 |
|---|---|
| Molecular Weight | 312.10 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 94.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 312.10226 |
| Heavy Atoms | 23 |
| Complexity | 451.0 |
Chemical Identifiers
| CAS Number | 280571-04-2 |
|---|---|
| SMILES | C1=CC(=CC=C1CC2=CNC=C2C(=CC(=O)C3=NC=NN3)O)F |
| InChIKey | UDQIZHFJZBPOFU-UHFFFAOYSA-N |
Product Overview
CTK4G0701 (CAS 280571-04-2), with molecular formula C16H13FN4O2 and molecular weight 312.10 g/mol. IUPAC: 3-[4-[(4-fluorophenyl)methyl]-1H-pyrrol-3-yl]-3-hydroxy-1-(1H-1,2,4-triazol-5-yl)prop-2-en-1-one.
Chemical Property Profile of CTK4G0701
Property Insights of CTK4G0701
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CTK4G0701. The TPSA of 94.7 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK4G0701. Following Lipinski's Rule of Five, CTK4G0701 has 3 hydrogen bond donor(s) and 5 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 CTK4G0701?
The CAS number of CTK4G0701 is 280571-04-2.
What is the molecular formula of CTK4G0701?
The molecular formula of CTK4G0701 is C16H13FN4O2.
What is the molecular weight of CTK4G0701?
The molecular weight of CTK4G0701 is 312.10 g/mol.
Where can I buy CTK4G0701?
You can request a quote for CTK4G0701 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK4G0701?
Yes, KEHONG BIO provides custom synthesis services for CTK4G0701 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.