6G-018
TL;DR: 6G-018 (CAS 439110-90-4) is a chemical compound with molecular formula C17H9ClF3N3O3 and molecular weight 395.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 6G-018, 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-phenyl-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-5-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione, 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-5-phenyl-3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
| Molecular Formula | C17H9ClF3N3O3 |
|---|---|
| Molecular Weight | 395.03 g/mol |
| LogP | 3.0463 |
| Topological Polar Surface Area | 71.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 395.02844 |
| Heavy Atoms | 27 |
| Complexity | 978.3792 |
Chemical Identifiers
| CAS Number | 439110-90-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)C3C(C2=O)ON=C3C4=C(C=C(C=N4)C(F)(F)F)Cl |
Product Overview
6G-018 (CAS 439110-90-4), with molecular formula C17H9ClF3N3O3 and molecular weight 395.03 g/mol. IUPAC: 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione.
Chemical Property Profile of 6G-018
Property Insights of 6G-018
The XLogP value of 3.0463 indicates that 6G-018 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 6G-018. Following Lipinski's Rule of Five, 6G-018 has 0 hydrogen bond donor(s) and 5 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 6G-018?
The CAS number of 6G-018 is 439110-90-4.
What is the molecular formula of 6G-018?
The molecular formula of 6G-018 is C17H9ClF3N3O3.
What is the molecular weight of 6G-018?
The molecular weight of 6G-018 is 395.03 g/mol.
Where can I buy 6G-018?
You can request a quote for 6G-018 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6G-018?
Yes, KEHONG BIO provides custom synthesis services for 6G-018 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.