3G-016
TL;DR: 3G-016 (CAS 338406-94-3) is a chemical compound with molecular formula C13H5F6N3O2S and molecular weight 381.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(trifluoromethyl)-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]pyridine-2-carbonitrile
Also Known As: 3G-016, 5-(trifluoromethyl)-3-{[5-(trifluoromethyl)-2-pyridinyl]sulfonyl}-2-pyridinecarbonitrile, 5-(trifluoromethyl)-3-[5-(trifluoromethyl)pyridin-2-yl]sulfonylpyridine-2-carbonitrile, 5-(trifluoromethyl)-3-{[5-(trifluoromethyl)pyridin-2-yl]sulfonyl}pyridine-2-carbonitrile
| Molecular Formula | C13H5F6N3O2S |
|---|---|
| Molecular Weight | 381.00 g/mol |
| LogP | 3.21868 |
| Topological Polar Surface Area | 83.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 381.00067 |
| Heavy Atoms | 25 |
| Complexity | 943.7003 |
Chemical Identifiers
| CAS Number | 338406-94-3 |
|---|---|
| SMILES | C1=CC(=NC=C1C(F)(F)F)S(=O)(=O)C2=C(N=CC(=C2)C(F)(F)F)C#N |
Product Overview
3G-016 (CAS 338406-94-3), with molecular formula C13H5F6N3O2S and molecular weight 381.00 g/mol. IUPAC: 5-(trifluoromethyl)-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]pyridine-2-carbonitrile.
Chemical Property Profile of 3G-016
Property Insights of 3G-016
The XLogP value of 3.21868 indicates that 3G-016 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 3G-016. Following Lipinski's Rule of Five, 3G-016 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 3G-016?
The CAS number of 3G-016 is 338406-94-3.
What is the molecular formula of 3G-016?
The molecular formula of 3G-016 is C13H5F6N3O2S.
What is the molecular weight of 3G-016?
The molecular weight of 3G-016 is 381.00 g/mol.
Where can I buy 3G-016?
You can request a quote for 3G-016 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3G-016?
Yes, KEHONG BIO provides custom synthesis services for 3G-016 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.