8G-967
TL;DR: 8G-967 (CAS 339096-68-3) is a chemical compound with molecular formula C16H14ClF3N4O5 and molecular weight 434.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-3-carboxylate
Also Known As: 8G-967, ethyl 5-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-4,6-dioxo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d]isoxazole-3-carboxylate, ethyl 5-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-3-carboxylate, ethyl 5-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-4,6-dioxo-3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2]oxazole-3-carboxylate, ethyl5-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-4,6-dioxo-3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2]oxazole-3-carboxylate
| Molecular Formula | C16H14ClF3N4O5 |
|---|---|
| Molecular Weight | 434.06 g/mol |
| LogP | 1.4686 |
| Topological Polar Surface Area | 110.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 434.0605 |
| Heavy Atoms | 29 |
| Complexity | 891.79645 |
Chemical Identifiers
| CAS Number | 339096-68-3 |
|---|---|
| SMILES | CCOC(=O)C1=NOC2C1C(=O)N(C2=O)CCNC3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
8G-967 (CAS 339096-68-3), with molecular formula C16H14ClF3N4O5 and molecular weight 434.06 g/mol. IUPAC: ethyl 5-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-3-carboxylate.
Chemical Property Profile of 8G-967
Property Insights of 8G-967
The XLogP value of 1.4686 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8G-967. The TPSA of 110.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 8G-967. Following Lipinski's Rule of Five, 8G-967 has 1 hydrogen bond donor(s) and 8 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 8G-967?
The CAS number of 8G-967 is 339096-68-3.
What is the molecular formula of 8G-967?
The molecular formula of 8G-967 is C16H14ClF3N4O5.
What is the molecular weight of 8G-967?
The molecular weight of 8G-967 is 434.06 g/mol.
Where can I buy 8G-967?
You can request a quote for 8G-967 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8G-967?
Yes, KEHONG BIO provides custom synthesis services for 8G-967 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.