Bionet1_002187
TL;DR: Bionet1_002187 (CAS 338957-34-9) is a chemical compound with molecular formula C20H17N3O4S and molecular weight 395.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(2-methoxycarbonylphenyl)sulfanyl-3-phenyl-1,2,4-triazine-6-carboxylate
Also Known As: Bionet1_002187, ethyl 5-{[2-(methoxycarbonyl)phenyl]sulfanyl}-3-phenyl-1,2,4-triazine-6-carboxylate, 5K-560S, ethyl 5-(2-methoxycarbonylphenyl)sulfanyl-3-phenyl-1,2,4-triazine-6-carboxylate, ethyl5-{[2-(methoxycarbonyl)phenyl]sulfanyl}-3-phenyl-1,2,4-triazine-6-carboxylate
| Molecular Formula | C20H17N3O4S |
|---|---|
| Molecular Weight | 395.09 g/mol |
| LogP | 3.6531 |
| Topological Polar Surface Area | 91.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 395.09396 |
| Heavy Atoms | 28 |
| Complexity | 995.7508 |
Chemical Identifiers
| CAS Number | 338957-34-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(N=N1)C2=CC=CC=C2)SC3=CC=CC=C3C(=O)OC |
Product Overview
Bionet1_002187 (CAS 338957-34-9), with molecular formula C20H17N3O4S and molecular weight 395.09 g/mol. IUPAC: ethyl 5-(2-methoxycarbonylphenyl)sulfanyl-3-phenyl-1,2,4-triazine-6-carboxylate.
Chemical Property Profile of Bionet1_002187
Property Insights of Bionet1_002187
The XLogP value of 3.6531 indicates that Bionet1_002187 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 Bionet1_002187. Following Lipinski's Rule of Five, Bionet1_002187 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 Bionet1_002187?
The CAS number of Bionet1_002187 is 338957-34-9.
What is the molecular formula of Bionet1_002187?
The molecular formula of Bionet1_002187 is C20H17N3O4S.
What is the molecular weight of Bionet1_002187?
The molecular weight of Bionet1_002187 is 395.09 g/mol.
Where can I buy Bionet1_002187?
You can request a quote for Bionet1_002187 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_002187?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_002187 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.