Bionet1_003568
TL;DR: Bionet1_003568 (CAS 478049-72-8) is a chemical compound with molecular formula C16H11F3N2O2S and molecular weight 352.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]benzoate
Also Known As: Bionet1_003568, 5N-388S, methyl 2-{[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}benzenecarboxylate, methyl 2-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylbenzoate, methyl 2-{[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}benzoate
| Molecular Formula | C16H11F3N2O2S |
|---|---|
| Molecular Weight | 352.05 g/mol |
| LogP | 4.2183 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 352.04935 |
| Heavy Atoms | 24 |
| Complexity | 829.04785 |
Chemical Identifiers
| CAS Number | 478049-72-8 |
|---|---|
| SMILES | CC1=CC(=C(C(=N1)SC2=CC=CC=C2C(=O)OC)C#N)C(F)(F)F |
Product Overview
Bionet1_003568 (CAS 478049-72-8), with molecular formula C16H11F3N2O2S and molecular weight 352.05 g/mol. IUPAC: methyl 2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]benzoate.
Chemical Property Profile of Bionet1_003568
Property Insights of Bionet1_003568
The XLogP value of 4.2183 indicates that Bionet1_003568 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.98 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_003568. Following Lipinski's Rule of Five, Bionet1_003568 has 0 hydrogen bond donor(s) and 5 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_003568?
The CAS number of Bionet1_003568 is 478049-72-8.
What is the molecular formula of Bionet1_003568?
The molecular formula of Bionet1_003568 is C16H11F3N2O2S.
What is the molecular weight of Bionet1_003568?
The molecular weight of Bionet1_003568 is 352.05 g/mol.
Where can I buy Bionet1_003568?
You can request a quote for Bionet1_003568 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_003568?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_003568 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.