2G-050
TL;DR: 2G-050 (CAS 338396-87-5) is a chemical compound with molecular formula C14H6F6N2S and molecular weight 348.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]sulfanylpyridine-2-carbonitrile
Also Known As: 2G-050, 5-(trifluoromethyl)-3-{[3-(trifluoromethyl)phenyl]sulfanyl}-2-pyridinecarbonitrile, 5-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]sulfanylpyridine-2-carbonitrile, 5-(trifluoromethyl)-3-{[3-(trifluoromethyl)phenyl]sulfanyl}pyridine-2-carbonitrile
| Molecular Formula | C14H6F6N2S |
|---|---|
| Molecular Weight | 348.02 g/mol |
| LogP | 5.14208 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 348.0156 |
| Heavy Atoms | 23 |
| Complexity | 761.0835 |
Chemical Identifiers
| CAS Number | 338396-87-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)SC2=C(N=CC(=C2)C(F)(F)F)C#N)C(F)(F)F |
Product Overview
2G-050 (CAS 338396-87-5), with molecular formula C14H6F6N2S and molecular weight 348.02 g/mol. IUPAC: 5-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]sulfanylpyridine-2-carbonitrile.
Chemical Property Profile of 2G-050
Property Insights of 2G-050
The XLogP value of 5.14208 indicates that 2G-050 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.68 Ų, 2G-050 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2G-050 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2G-050?
The CAS number of 2G-050 is 338396-87-5.
What is the molecular formula of 2G-050?
The molecular formula of 2G-050 is C14H6F6N2S.
What is the molecular weight of 2G-050?
The molecular weight of 2G-050 is 348.02 g/mol.
Where can I buy 2G-050?
You can request a quote for 2G-050 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2G-050?
Yes, KEHONG BIO provides custom synthesis services for 2G-050 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.