3J-933
TL;DR: 3J-933 (CAS 338411-99-7) is a chemical compound with molecular formula C20H21ClF3N7O and molecular weight 467.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-2-(4-methylpiperazin-1-yl)pyrido[2,3-b]pyrazin-3-one
Also Known As: 3J-933, 4-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-2-(4-methylpiperazino)pyrido[2,3-b]pyrazin-3(4H)-one, 4-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-2-(4-methylpiperazin-1-yl)pyrido[2,3-b]pyrazin-3-one, 4-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-2-(4-methylpiperazin-1-yl)-3H,4H-pyrido[2,3-b]pyrazin-3-one
| Molecular Formula | C20H21ClF3N7O |
|---|---|
| Molecular Weight | 467.14 g/mol |
| LogP | 2.7226 |
| Topological Polar Surface Area | 79.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 467.1448 |
| Heavy Atoms | 32 |
| Complexity | 1176.0476 |
Chemical Identifiers
| CAS Number | 338411-99-7 |
|---|---|
| SMILES | CN1CCN(CC1)C2=NC3=C(N=CC=C3)N(C2=O)CCNC4=C(C=C(C=N4)C(F)(F)F)Cl |
Product Overview
3J-933 (CAS 338411-99-7), with molecular formula C20H21ClF3N7O and molecular weight 467.14 g/mol. IUPAC: 4-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-2-(4-methylpiperazin-1-yl)pyrido[2,3-b]pyrazin-3-one.
Chemical Property Profile of 3J-933
Property Insights of 3J-933
The XLogP value of 2.7226 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3J-933. The TPSA of 79.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 3J-933. Following Lipinski's Rule of Five, 3J-933 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 3J-933?
The CAS number of 3J-933 is 338411-99-7.
What is the molecular formula of 3J-933?
The molecular formula of 3J-933 is C20H21ClF3N7O.
What is the molecular weight of 3J-933?
The molecular weight of 3J-933 is 467.14 g/mol.
Where can I buy 3J-933?
You can request a quote for 3J-933 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3J-933?
Yes, KEHONG BIO provides custom synthesis services for 3J-933 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.