4F-047
TL;DR: 4F-047 (CAS 338418-75-0) is a chemical compound with molecular formula C16H13ClN8 and molecular weight 352.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-chloro-2-pyridinyl)-N-phenyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-amine
Also Known As: 4F-047, 1-(6-chloro-2-pyridinyl)-N-phenyl-3-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-5-amine, 2-(6-chloropyridin-2-yl)-N-phenyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-amine, 1-(6-chloropyridin-2-yl)-N-phenyl-3-[(1H-1,2,4-triazol-1-yl)methyl]-1H-1,2,4-triazol-5-amine, 3-((1H-1,2,4-Triazol-1-yl)methyl)-1-(6-chloropyridin-2-yl)-N-phenyl-1H-1,2,4-triazol-5-amine
| Molecular Formula | C16H13ClN8 |
|---|---|
| Molecular Weight | 352.10 g/mol |
| LogP | 2.6991 |
| Topological Polar Surface Area | 86.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 352.09518 |
| Heavy Atoms | 25 |
| Complexity | 964.9905 |
Chemical Identifiers
| CAS Number | 338418-75-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=NC(=NN2C3=NC(=CC=C3)Cl)CN4C=NC=N4 |
Product Overview
4F-047 (CAS 338418-75-0), with molecular formula C16H13ClN8 and molecular weight 352.10 g/mol. IUPAC: 2-(6-chloro-2-pyridinyl)-N-phenyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-amine.
Chemical Property Profile of 4F-047
Property Insights of 4F-047
The XLogP value of 2.6991 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4F-047. The TPSA of 86.34 Ų falls within the moderate polarity range, balancing permeability and solubility for 4F-047. Following Lipinski's Rule of Five, 4F-047 has 1 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 4F-047?
The CAS number of 4F-047 is 338418-75-0.
What is the molecular formula of 4F-047?
The molecular formula of 4F-047 is C16H13ClN8.
What is the molecular weight of 4F-047?
The molecular weight of 4F-047 is 352.10 g/mol.
Where can I buy 4F-047?
You can request a quote for 4F-047 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4F-047?
Yes, KEHONG BIO provides custom synthesis services for 4F-047 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.