![3-[N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-C-methylcarbonimidoyl]-5-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione structure](/static/products/3379/337920-32-8.webp)
3-[N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-C-methylcarbonimidoyl]-5-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
TL;DR: 3-[N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-C-methylcarbonimidoyl]-5-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione (CAS 337920-32-8) is a chemical compound with molecular formula C20H13Cl2F6N7O3 and molecular weight 583.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-C-methylcarbonimidoyl]-5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 3-[N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-C-methylcarbonimidoyl]-5-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione, 3-{2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethanehydrazonoyl}-5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
| Molecular Formula | C20H13Cl2F6N7O3 |
|---|---|
| Molecular Weight | 583.04 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 112.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 583.03613 |
| Heavy Atoms | 38 |
| Complexity | 1381.8491 |
Chemical Identifiers
| CAS Number | 337920-32-8 |
|---|---|
| SMILES | CC(=NNC1=C(C=C(C=N1)C(F)(F)F)Cl)C2=NOC3C2C(=O)N(C3=O)N(C)C4=C(C=C(C=N4)C(F)(F)F)Cl |
Product Overview
3-[N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-C-methylcarbonimidoyl]-5-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione (CAS 337920-32-8), with molecular formula C20H13Cl2F6N7O3 and molecular weight 583.04 g/mol. IUPAC: 3-[N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-C-methylcarbonimidoyl]-5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione.
Chemical Property Profile of 3-[N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-C-methylcarbonimidoyl]-5-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
Property Insights of 3-[N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-C-methylcarbonimidoyl]-5-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
The XLogP value of 4.4 indicates that 3-[N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-C-methylcarbonimidoyl]-5-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-C-methylcarbonimidoyl]-5-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione. Following Lipinski's Rule of Five, 3-[N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-C-methylcarbonimidoyl]-5-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-C-methylcarbonimidoyl]-5-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione?
The CAS number of 3-[N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-C-methylcarbonimidoyl]-5-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione is 337920-32-8.
What is the molecular formula of 3-[N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-C-methylcarbonimidoyl]-5-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione?
The molecular formula of 3-[N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-C-methylcarbonimidoyl]-5-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione is C20H13Cl2F6N7O3.
What is the molecular weight of 3-[N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-C-methylcarbonimidoyl]-5-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione?
The molecular weight of 3-[N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-C-methylcarbonimidoyl]-5-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione is 583.04 g/mol.
Where can I buy 3-[N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-C-methylcarbonimidoyl]-5-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione?
You can request a quote for 3-[N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-C-methylcarbonimidoyl]-5-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-C-methylcarbonimidoyl]-5-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-[N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-C-methylcarbonimidoyl]-5-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.