6K-535S
TL;DR: 6K-535S (CAS 338965-82-5) is a chemical compound with molecular formula C21H19N3O4S and molecular weight 409.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(2-methoxycarbonylphenyl)sulfanyl-3-(4-methylphenyl)-1,2,4-triazine-6-carboxylate
Also Known As: 6K-535S, ethyl 5-{[2-(methoxycarbonyl)phenyl]sulfanyl}-3-(4-methylphenyl)-1,2,4-triazine-6-carboxylate, Ethyl 5-(2-methoxycarbonylphenyl)sulfanyl-3-(4-methylphenyl)-1,2,4-triazine-6-carboxylate, ethyl5-{[2-(methoxycarbonyl)phenyl]sulfanyl}-3-(4-methylphenyl)-1,2,4-triazine-6-carboxylate
| Molecular Formula | C21H19N3O4S |
|---|---|
| Molecular Weight | 409.11 g/mol |
| LogP | 3.96152 |
| Topological Polar Surface Area | 91.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 409.10962 |
| Heavy Atoms | 29 |
| Complexity | 1038.3511 |
Chemical Identifiers
| CAS Number | 338965-82-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(N=N1)C2=CC=C(C=C2)C)SC3=CC=CC=C3C(=O)OC |
Product Overview
6K-535S (CAS 338965-82-5), with molecular formula C21H19N3O4S and molecular weight 409.11 g/mol. IUPAC: ethyl 5-(2-methoxycarbonylphenyl)sulfanyl-3-(4-methylphenyl)-1,2,4-triazine-6-carboxylate.
Chemical Property Profile of 6K-535S
Property Insights of 6K-535S
The XLogP value of 3.96152 indicates that 6K-535S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 6K-535S. Following Lipinski's Rule of Five, 6K-535S has 0 hydrogen bond donor(s) and 8 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-535S?
The CAS number of 6K-535S is 338965-82-5.
What is the molecular formula of 6K-535S?
The molecular formula of 6K-535S is C21H19N3O4S.
What is the molecular weight of 6K-535S?
The molecular weight of 6K-535S is 409.11 g/mol.
Where can I buy 6K-535S?
You can request a quote for 6K-535S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6K-535S?
Yes, KEHONG BIO provides custom synthesis services for 6K-535S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.