4F-049
TL;DR: 4F-049 (CAS 338418-76-1) is a chemical compound with molecular formula C14H9ClF3N5S and molecular weight 371.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-2-[3-(pyridin-2-ylsulfanylmethyl)-1,2,4-triazol-1-yl]-5-(trifluoromethyl)pyridine
Also Known As: 4F-049, 3-chloro-2-{3-[(2-pyridinylsulfanyl)methyl]-1H-1,2,4-triazol-1-yl}-5-(trifluoromethyl)pyridine, 3-chloro-2-[3-(pyridin-2-ylsulfanylmethyl)-1,2,4-triazol-1-yl]-5-(trifluoromethyl)pyridine, 3-chloro-2-{3-[(pyridin-2-ylsulfanyl)methyl]-1H-1,2,4-triazol-1-yl}-5-(trifluoromethyl)pyridine
| Molecular Formula | C14H9ClF3N5S |
|---|---|
| Molecular Weight | 371.02 g/mol |
| LogP | 4.0218 |
| Topological Polar Surface Area | 56.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 371.02194 |
| Heavy Atoms | 24 |
| Complexity | 837.92633 |
Chemical Identifiers
| CAS Number | 338418-76-1 |
|---|---|
| SMILES | C1=CC=NC(=C1)SCC2=NN(C=N2)C3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
4F-049 (CAS 338418-76-1), with molecular formula C14H9ClF3N5S and molecular weight 371.02 g/mol. IUPAC: 3-chloro-2-[3-(pyridin-2-ylsulfanylmethyl)-1,2,4-triazol-1-yl]-5-(trifluoromethyl)pyridine.
Chemical Property Profile of 4F-049
Property Insights of 4F-049
The XLogP value of 4.0218 indicates that 4F-049 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.49 Ų, 4F-049 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4F-049 has 0 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 4F-049?
The CAS number of 4F-049 is 338418-76-1.
What is the molecular formula of 4F-049?
The molecular formula of 4F-049 is C14H9ClF3N5S.
What is the molecular weight of 4F-049?
The molecular weight of 4F-049 is 371.02 g/mol.
Where can I buy 4F-049?
You can request a quote for 4F-049 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4F-049?
Yes, KEHONG BIO provides custom synthesis services for 4F-049 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.