2G-950
TL;DR: 2G-950 (CAS 338397-40-3) is a chemical compound with molecular formula C23H16Cl3F3N4OS2 and molecular weight 589.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Also Known As: 2G-950, 7-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[(2,4-dichlorobenzyl)sulfanyl]-3-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 11-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-5-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one, 11-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-5-{[(2,4-dichlorophenyl)methyl]sulfanyl}-4-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one
| Molecular Formula | C23H16Cl3F3N4OS2 |
|---|---|
| Molecular Weight | 589.98 g/mol |
| LogP | 7.224 |
| Topological Polar Surface Area | 51.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 589.97833 |
| Heavy Atoms | 36 |
| Complexity | 1554.617 |
Chemical Identifiers
| CAS Number | 338397-40-3 |
|---|---|
| SMILES | CN1C(=O)C2=C(N=C1SCC3=C(C=C(C=C3)Cl)Cl)SC4=C2CCN(C4)C5=C(C=C(C=N5)C(F)(F)F)Cl |
Product Overview
2G-950 (CAS 338397-40-3), with molecular formula C23H16Cl3F3N4OS2 and molecular weight 589.98 g/mol. IUPAC: 11-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one.
Chemical Property Profile of 2G-950
Property Insights of 2G-950
The XLogP value of 7.224 indicates that 2G-950 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.02 Ų, 2G-950 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2G-950 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2G-950?
The CAS number of 2G-950 is 338397-40-3.
What is the molecular formula of 2G-950?
The molecular formula of 2G-950 is C23H16Cl3F3N4OS2.
What is the molecular weight of 2G-950?
The molecular weight of 2G-950 is 589.98 g/mol.
Where can I buy 2G-950?
You can request a quote for 2G-950 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2G-950?
Yes, KEHONG BIO provides custom synthesis services for 2G-950 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.