]-3,3-spiro[2-(5,5-dimethyl cyclohexane-1,3-dionyl)]dihydro-2H-pyrolo[3,4-d]isoxazole-4,6-(3H,5H-dione structure](/static/products/3387/338772-51-3.webp)
5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methylamino)]-3,3-spiro[2-(5,5-dimethyl cyclohexane-1,3-dionyl)]dihydro-2H-pyrolo[3,4-d]isoxazole-4,6-(3H,5H-dione
TL;DR: 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methylamino)]-3,3-spiro[2-(5,5-dimethyl cyclohexane-1,3-dionyl)]dihydro-2H-pyrolo[3,4-d]isoxazole-4,6-(3H,5H-dione (CAS 338772-51-3) is a chemical compound with molecular formula C19H18ClF3N4O5 and molecular weight 474.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-5',5'-dimethylspiro[3a,6a-dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-3,2'-cyclohexane]-1',3',4,6-tetrone
Also Known As: 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methylamino)]-3,3-spiro[2-(5,5-dimethyl cyclohexane-1,3-dionyl)]dihydro-2H-pyrolo[3,4-d]isoxazole-4,6-(3H,5H-dione, 5'-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-4,4-dimethyl-hexahydrospiro[cyclohexane-1,3'-pyrrolo[3,4-d][1,2]oxazole]-2,4',6,6'-tetrone, 5-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-5',5'-dimethylspiro[3a,6a-dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-3,2'-cyclohexane]-1',3',4,6-tetrone
| Molecular Formula | C19H18ClF3N4O5 |
|---|---|
| Molecular Weight | 474.09 g/mol |
| LogP | 1.6904 |
| Topological Polar Surface Area | 108.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 474.0918 |
| Heavy Atoms | 32 |
| Complexity | 1039.889 |
Chemical Identifiers
| CAS Number | 338772-51-3 |
|---|---|
| SMILES | CC1(CC(=O)C2(C3C(C(=O)N(C3=O)N(C)C4=C(C=C(C=N4)C(F)(F)F)Cl)ON2)C(=O)C1)C |
Product Overview
5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methylamino)]-3,3-spiro[2-(5,5-dimethyl cyclohexane-1,3-dionyl)]dihydro-2H-pyrolo[3,4-d]isoxazole-4,6-(3H,5H-dione (CAS 338772-51-3), with molecular formula C19H18ClF3N4O5 and molecular weight 474.09 g/mol. IUPAC: 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-5',5'-dimethylspiro[3a,6a-dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-3,2'-cyclohexane]-1',3',4,6-tetrone.
Chemical Property Profile of 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methylamino)]-3,3-spiro[2-(5,5-dimethyl cyclohexane-1,3-dionyl)]dihydro-2H-pyrolo[3,4-d]isoxazole-4,6-(3H,5H-dione
Property Insights of 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methylamino)]-3,3-spiro[2-(5,5-dimethyl cyclohexane-1,3-dionyl)]dihydro-2H-pyrolo[3,4-d]isoxazole-4,6-(3H,5H-dione
The XLogP value of 1.6904 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methylamino)]-3,3-spiro[2-(5,5-dimethyl cyclohexane-1,3-dionyl)]dihydro-2H-pyrolo[3,4-d]isoxazole-4,6-(3H,5H-dione. The TPSA of 108.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methylamino)]-3,3-spiro[2-(5,5-dimethyl cyclohexane-1,3-dionyl)]dihydro-2H-pyrolo[3,4-d]isoxazole-4,6-(3H,5H-dione. Following Lipinski's Rule of Five, 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methylamino)]-3,3-spiro[2-(5,5-dimethyl cyclohexane-1,3-dionyl)]dihydro-2H-pyrolo[3,4-d]isoxazole-4,6-(3H,5H-dione 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 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methylamino)]-3,3-spiro[2-(5,5-dimethyl cyclohexane-1,3-dionyl)]dihydro-2H-pyrolo[3,4-d]isoxazole-4,6-(3H,5H-dione?
The CAS number of 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methylamino)]-3,3-spiro[2-(5,5-dimethyl cyclohexane-1,3-dionyl)]dihydro-2H-pyrolo[3,4-d]isoxazole-4,6-(3H,5H-dione is 338772-51-3.
What is the molecular formula of 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methylamino)]-3,3-spiro[2-(5,5-dimethyl cyclohexane-1,3-dionyl)]dihydro-2H-pyrolo[3,4-d]isoxazole-4,6-(3H,5H-dione?
The molecular formula of 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methylamino)]-3,3-spiro[2-(5,5-dimethyl cyclohexane-1,3-dionyl)]dihydro-2H-pyrolo[3,4-d]isoxazole-4,6-(3H,5H-dione is C19H18ClF3N4O5.
What is the molecular weight of 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methylamino)]-3,3-spiro[2-(5,5-dimethyl cyclohexane-1,3-dionyl)]dihydro-2H-pyrolo[3,4-d]isoxazole-4,6-(3H,5H-dione?
The molecular weight of 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methylamino)]-3,3-spiro[2-(5,5-dimethyl cyclohexane-1,3-dionyl)]dihydro-2H-pyrolo[3,4-d]isoxazole-4,6-(3H,5H-dione is 474.09 g/mol.
Where can I buy 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methylamino)]-3,3-spiro[2-(5,5-dimethyl cyclohexane-1,3-dionyl)]dihydro-2H-pyrolo[3,4-d]isoxazole-4,6-(3H,5H-dione?
You can request a quote for 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methylamino)]-3,3-spiro[2-(5,5-dimethyl cyclohexane-1,3-dionyl)]dihydro-2H-pyrolo[3,4-d]isoxazole-4,6-(3H,5H-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methylamino)]-3,3-spiro[2-(5,5-dimethyl cyclohexane-1,3-dionyl)]dihydro-2H-pyrolo[3,4-d]isoxazole-4,6-(3H,5H-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methylamino)]-3,3-spiro[2-(5,5-dimethyl cyclohexane-1,3-dionyl)]dihydro-2H-pyrolo[3,4-d]isoxazole-4,6-(3H,5H-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.