2G-904
TL;DR: 2G-904 (CAS 338397-26-5) is a chemical compound with molecular formula C19H17ClF3N5S and molecular weight 439.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-4-phenyl-1H-1,2,4-triazole-5-thione
Also Known As: 2G-904, 5-{1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-piperidinyl}-4-phenyl-4H-1,2,4-triazole-3-thiol, 3-[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]-4-phenyl-1H-1,2,4-triazole-5-thione, 5-{1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl}-4-phenyl-4H-1,2,4-triazole-3-thiol, 5-[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-piperidyl]-4-phenyl-2H-1,2,4-triazole-3-thione
| Molecular Formula | C19H17ClF3N5S |
|---|---|
| Molecular Weight | 439.08 g/mol |
| LogP | 5.38109 |
| Topological Polar Surface Area | 49.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 439.08453 |
| Heavy Atoms | 29 |
| Complexity | 1055.6968 |
Chemical Identifiers
| CAS Number | 338397-26-5 |
|---|---|
| SMILES | C1CN(CCC1C2=NNC(=S)N2C3=CC=CC=C3)C4=C(C=C(C=N4)C(F)(F)F)Cl |
Product Overview
2G-904 (CAS 338397-26-5), with molecular formula C19H17ClF3N5S and molecular weight 439.08 g/mol. IUPAC: 3-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-4-phenyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 2G-904
Property Insights of 2G-904
The XLogP value of 5.38109 indicates that 2G-904 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.74 Ų, 2G-904 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2G-904 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2G-904?
The CAS number of 2G-904 is 338397-26-5.
What is the molecular formula of 2G-904?
The molecular formula of 2G-904 is C19H17ClF3N5S.
What is the molecular weight of 2G-904?
The molecular weight of 2G-904 is 439.08 g/mol.
Where can I buy 2G-904?
You can request a quote for 2G-904 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2G-904?
Yes, KEHONG BIO provides custom synthesis services for 2G-904 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.