3G-936
TL;DR: 3G-936 (CAS 478030-87-4) is a chemical compound with molecular formula C21H22ClF3N4O5 and molecular weight 502.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-6-oxo-1H-pyridine-3,5-dicarboxylate
Also Known As: 3G-936, diethyl 6-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-oxo-1,2-dihydro-3,5-pyridinedicarboxylate, diethyl 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-6-oxo-1H-pyridine-3,5-dicarboxylate, 3,5-diethyl 6-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}-2-oxo-1,2-dihydropyridine-3,5-dicarboxylate, 3,5-diethyl 2-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}-6-oxo-1H-pyridine-3,5-dicarboxylate
| Molecular Formula | C21H22ClF3N4O5 |
|---|---|
| Molecular Weight | 502.12 g/mol |
| LogP | 3.1221 |
| Topological Polar Surface Area | 104.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 502.12308 |
| Heavy Atoms | 34 |
| Complexity | 1130.3676 |
Chemical Identifiers
| CAS Number | 478030-87-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=C(NC1=O)N2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl)C(=O)OCC |
Product Overview
3G-936 (CAS 478030-87-4), with molecular formula C21H22ClF3N4O5 and molecular weight 502.12 g/mol. IUPAC: diethyl 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-6-oxo-1H-pyridine-3,5-dicarboxylate.
Chemical Property Profile of 3G-936
Property Insights of 3G-936
The XLogP value of 3.1221 indicates that 3G-936 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 3G-936. Following Lipinski's Rule of Five, 3G-936 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3G-936?
The CAS number of 3G-936 is 478030-87-4.
What is the molecular formula of 3G-936?
The molecular formula of 3G-936 is C21H22ClF3N4O5.
What is the molecular weight of 3G-936?
The molecular weight of 3G-936 is 502.12 g/mol.
Where can I buy 3G-936?
You can request a quote for 3G-936 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3G-936?
Yes, KEHONG BIO provides custom synthesis services for 3G-936 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.