2G-042
TL;DR: 2G-042 (CAS 338396-86-4) is a chemical compound with molecular formula C13H5F6N3S and molecular weight 349.01 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]sulfanyl]pyridine-2-carbonitrile
Also Known As: 2G-042, 5-(trifluoromethyl)-3-{[5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-2-pyridinecarbonitrile, 5-(trifluoromethyl)-3-[5-(trifluoromethyl)pyridin-2-yl]sulfanylpyridine-2-carbonitrile, 5-(trifluoromethyl)-3-{[5-(trifluoromethyl)pyridin-2-yl]sulfanyl}pyridine-2-carbonitrile
| Molecular Formula | C13H5F6N3S |
|---|---|
| Molecular Weight | 349.01 g/mol |
| LogP | 4.53708 |
| Topological Polar Surface Area | 49.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 349.01083 |
| Heavy Atoms | 23 |
| Complexity | 746.2759 |
Chemical Identifiers
| CAS Number | 338396-86-4 |
|---|---|
| SMILES | C1=CC(=NC=C1C(F)(F)F)SC2=C(N=CC(=C2)C(F)(F)F)C#N |
Product Overview
2G-042 (CAS 338396-86-4), with molecular formula C13H5F6N3S and molecular weight 349.01 g/mol. IUPAC: 5-(trifluoromethyl)-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine-2-carbonitrile.
Chemical Property Profile of 2G-042
Property Insights of 2G-042
The XLogP value of 4.53708 indicates that 2G-042 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.57 Ų, 2G-042 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2G-042 has 0 hydrogen bond donor(s) and 4 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 2G-042?
The CAS number of 2G-042 is 338396-86-4.
What is the molecular formula of 2G-042?
The molecular formula of 2G-042 is C13H5F6N3S.
What is the molecular weight of 2G-042?
The molecular weight of 2G-042 is 349.01 g/mol.
Where can I buy 2G-042?
You can request a quote for 2G-042 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2G-042?
Yes, KEHONG BIO provides custom synthesis services for 2G-042 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.