8F-029
TL;DR: 8F-029 (CAS 339026-48-1) is a chemical compound with molecular formula C14H13ClF3N7S and molecular weight 403.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-2-[[4-methyl-5-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,2,4-triazol-3-yl]sulfanyl]-5-(trifluoromethyl)pyridine
Also Known As: 8F-029, 3-chloro-2-({4-methyl-5-[1-methyl-1-(1H-1,2,4-triazol-1-yl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-5-(trifluoromethyl)pyridine, 3-chloro-2-({4-methyl-5-[2-(1H-1,2,4-triazol-1-yl)propan-2-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-5-(trifluoromethyl)pyridine, 3-chloro-2-[[4-methyl-5-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,2,4-triazol-3-yl]sulfanyl]-5-(trifluoromethyl)pyridine, 3-chloro-2-({4-methyl-5-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,2,4-triazol-3-yl}sulfanyl)-5-(trifluoromethyl)pyridine
| Molecular Formula | C14H13ClF3N7S |
|---|---|
| Molecular Weight | 403.06 g/mol |
| LogP | 3.4084 |
| Topological Polar Surface Area | 74.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 403.0594 |
| Heavy Atoms | 26 |
| Complexity | 921.266 |
Chemical Identifiers
| CAS Number | 339026-48-1 |
|---|---|
| SMILES | CC(C)(C1=NN=C(N1C)SC2=C(C=C(C=N2)C(F)(F)F)Cl)N3C=NC=N3 |
Product Overview
8F-029 (CAS 339026-48-1), with molecular formula C14H13ClF3N7S and molecular weight 403.06 g/mol. IUPAC: 3-chloro-2-[[4-methyl-5-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,2,4-triazol-3-yl]sulfanyl]-5-(trifluoromethyl)pyridine.
Chemical Property Profile of 8F-029
Property Insights of 8F-029
The XLogP value of 3.4084 indicates that 8F-029 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 8F-029. Following Lipinski's Rule of Five, 8F-029 has 0 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 8F-029?
The CAS number of 8F-029 is 339026-48-1.
What is the molecular formula of 8F-029?
The molecular formula of 8F-029 is C14H13ClF3N7S.
What is the molecular weight of 8F-029?
The molecular weight of 8F-029 is 403.06 g/mol.
Where can I buy 8F-029?
You can request a quote for 8F-029 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8F-029?
Yes, KEHONG BIO provides custom synthesis services for 8F-029 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.