![3-[N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-C-methylcarbonimidoyl]-5-[3-(trifluoromethyl)phenyl]-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione structure](/static/products/3392/339276-47-0.webp)
3-[N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-C-methylcarbonimidoyl]-5-[3-(trifluoromethyl)phenyl]-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-(trifluoromethyl)phenyl]-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione (CAS 339276-47-0) is a chemical compound with molecular formula C20H12ClF6N5O3 and molecular weight 519.05 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-(trifluoromethyl)phenyl]-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-(trifluoromethyl)phenyl]-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione, 3-{2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethanehydrazonoyl}-5-[3-(trifluoromethyl)phenyl]-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
| Molecular Formula | C20H12ClF6N5O3 |
|---|---|
| Molecular Weight | 519.05 g/mol |
| LogP | 4.5048 |
| Topological Polar Surface Area | 96.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 519.0533 |
| Heavy Atoms | 35 |
| Complexity | 1276.6272 |
Chemical Identifiers
| CAS Number | 339276-47-0 |
|---|---|
| SMILES | CC(=NNC1=C(C=C(C=N1)C(F)(F)F)Cl)C2=NOC3C2C(=O)N(C3=O)C4=CC=CC(=C4)C(F)(F)F |
Product Overview
3-[N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-C-methylcarbonimidoyl]-5-[3-(trifluoromethyl)phenyl]-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione (CAS 339276-47-0), with molecular formula C20H12ClF6N5O3 and molecular weight 519.05 g/mol. IUPAC: 3-[N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-C-methylcarbonimidoyl]-5-[3-(trifluoromethyl)phenyl]-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-(trifluoromethyl)phenyl]-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-(trifluoromethyl)phenyl]-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
The XLogP value of 4.5048 indicates that 3-[N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-C-methylcarbonimidoyl]-5-[3-(trifluoromethyl)phenyl]-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 96.25 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-(trifluoromethyl)phenyl]-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-(trifluoromethyl)phenyl]-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione has 1 hydrogen bond donor(s) and 7 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-(trifluoromethyl)phenyl]-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-(trifluoromethyl)phenyl]-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione is 339276-47-0.
What is the molecular formula of 3-[N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-C-methylcarbonimidoyl]-5-[3-(trifluoromethyl)phenyl]-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-(trifluoromethyl)phenyl]-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione is C20H12ClF6N5O3.
What is the molecular weight of 3-[N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-C-methylcarbonimidoyl]-5-[3-(trifluoromethyl)phenyl]-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-(trifluoromethyl)phenyl]-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione is 519.05 g/mol.
Where can I buy 3-[N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-C-methylcarbonimidoyl]-5-[3-(trifluoromethyl)phenyl]-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-(trifluoromethyl)phenyl]-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-(trifluoromethyl)phenyl]-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-(trifluoromethyl)phenyl]-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.