6K-542S
TL;DR: 6K-542S (CAS 338965-85-8) is a chemical compound with molecular formula C19H16BrN3O2S and molecular weight 429.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(4-bromophenyl)sulfanyl-3-(4-methylphenyl)-1,2,4-triazine-6-carboxylate
Also Known As: 6K-542S, ethyl 5-[(4-bromophenyl)sulfanyl]-3-(4-methylphenyl)-1,2,4-triazine-6-carboxylate, Ethyl 5-(4-bromophenyl)sulfanyl-3-(4-methylphenyl)-1,2,4-triazine-6-carboxylate
| Molecular Formula | C19H16BrN3O2S |
|---|---|
| Molecular Weight | 429.01 g/mol |
| LogP | 4.93742 |
| Topological Polar Surface Area | 64.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 429.01465 |
| Heavy Atoms | 26 |
| Complexity | 915.07227 |
Chemical Identifiers
| CAS Number | 338965-85-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(N=N1)C2=CC=C(C=C2)C)SC3=CC=C(C=C3)Br |
Product Overview
6K-542S (CAS 338965-85-8), with molecular formula C19H16BrN3O2S and molecular weight 429.01 g/mol. IUPAC: ethyl 5-(4-bromophenyl)sulfanyl-3-(4-methylphenyl)-1,2,4-triazine-6-carboxylate.
Chemical Property Profile of 6K-542S
Property Insights of 6K-542S
The XLogP value of 4.93742 indicates that 6K-542S 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 6K-542S. Following Lipinski's Rule of Five, 6K-542S 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 6K-542S?
The CAS number of 6K-542S is 338965-85-8.
What is the molecular formula of 6K-542S?
The molecular formula of 6K-542S is C19H16BrN3O2S.
What is the molecular weight of 6K-542S?
The molecular weight of 6K-542S is 429.01 g/mol.
Where can I buy 6K-542S?
You can request a quote for 6K-542S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6K-542S?
Yes, KEHONG BIO provides custom synthesis services for 6K-542S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.