3G-939
TL;DR: 3G-939 (CAS 338409-09-9) is a chemical compound with molecular formula C19H17ClF3N5O3 and molecular weight 455.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-5-cyano-2-oxo-1H-pyridine-3-carboxylate
Also Known As: 3G-939, ethyl 6-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-5-cyano-2-oxo-1,2-dihydro-3-pyridinecarboxylate, ethyl 6-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-5-cyano-2-oxo-1H-pyridine-3-carboxylate, ethyl 6-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}-5-cyano-2-oxo-1,2-dihydropyridine-3-carboxylate, ethyl6-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}-5-cyano-2-oxo-1,2-dihydropyridine-3-carboxylate
| Molecular Formula | C19H17ClF3N5O3 |
|---|---|
| Molecular Weight | 455.10 g/mol |
| LogP | 2.81708 |
| Topological Polar Surface Area | 102.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 455.0972 |
| Heavy Atoms | 31 |
| Complexity | 1088.6617 |
Chemical Identifiers
| CAS Number | 338409-09-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=C(NC1=O)N2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl)C#N |
Product Overview
3G-939 (CAS 338409-09-9), with molecular formula C19H17ClF3N5O3 and molecular weight 455.10 g/mol. IUPAC: ethyl 6-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-5-cyano-2-oxo-1H-pyridine-3-carboxylate.
Chemical Property Profile of 3G-939
Property Insights of 3G-939
The XLogP value of 2.81708 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3G-939. The TPSA of 102.32 Ų falls within the moderate polarity range, balancing permeability and solubility for 3G-939. Following Lipinski's Rule of Five, 3G-939 has 1 hydrogen bond donor(s) and 7 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 3G-939?
The CAS number of 3G-939 is 338409-09-9.
What is the molecular formula of 3G-939?
The molecular formula of 3G-939 is C19H17ClF3N5O3.
What is the molecular weight of 3G-939?
The molecular weight of 3G-939 is 455.10 g/mol.
Where can I buy 3G-939?
You can request a quote for 3G-939 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3G-939?
Yes, KEHONG BIO provides custom synthesis services for 3G-939 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.