8K-431S
TL;DR: 8K-431S (CAS 339103-77-4) is a chemical compound with molecular formula C19H14F3N3O2S and molecular weight 405.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[6-methyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]sulfanyl]benzoate
Also Known As: 8K-431S, methyl 2-({6-methyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl}sulfanyl)benzenecarboxylate, methyl 2-({6-methyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl}sulfanyl)benzoate, methyl 2-[[6-methyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]sulfanyl]benzoate, methyl2-({6-methyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl}sulfanyl)benzoate
| Molecular Formula | C19H14F3N3O2S |
|---|---|
| Molecular Weight | 405.08 g/mol |
| LogP | 4.80362 |
| Topological Polar Surface Area | 64.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 405.0759 |
| Heavy Atoms | 28 |
| Complexity | 1025.3009 |
Chemical Identifiers
| CAS Number | 339103-77-4 |
|---|---|
| SMILES | CC1=C(N=C(N=N1)C2=CC(=CC=C2)C(F)(F)F)SC3=CC=CC=C3C(=O)OC |
Product Overview
8K-431S (CAS 339103-77-4), with molecular formula C19H14F3N3O2S and molecular weight 405.08 g/mol. IUPAC: methyl 2-[[6-methyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]sulfanyl]benzoate.
Chemical Property Profile of 8K-431S
Property Insights of 8K-431S
The XLogP value of 4.80362 indicates that 8K-431S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 8K-431S. Following Lipinski's Rule of Five, 8K-431S 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 8K-431S?
The CAS number of 8K-431S is 339103-77-4.
What is the molecular formula of 8K-431S?
The molecular formula of 8K-431S is C19H14F3N3O2S.
What is the molecular weight of 8K-431S?
The molecular weight of 8K-431S is 405.08 g/mol.
Where can I buy 8K-431S?
You can request a quote for 8K-431S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8K-431S?
Yes, KEHONG BIO provides custom synthesis services for 8K-431S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.