![5-[N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-C-methylcarbonimidoyl]-1-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione structure](/static/products/4000/400079-34-7.webp)
5-[N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-C-methylcarbonimidoyl]-1-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione
TL;DR: 5-[N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-C-methylcarbonimidoyl]-1-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione (CAS 400079-34-7) is a chemical compound with molecular formula C26H18Cl2F7N7O2 and molecular weight 663.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-C-methylcarbonimidoyl]-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione
Also Known As: 5-[N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-C-methylcarbonimidoyl]-1-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione, 5-{2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethanehydrazonoyl}-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-3-(4-fluorobenzyl)-2,4(1H,3H)-pyrimidinedione
| Molecular Formula | C26H18Cl2F7N7O2 |
|---|---|
| Molecular Weight | 663.08 g/mol |
| LogP | 6.0674 |
| Topological Polar Surface Area | 97.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 663.07874 |
| Heavy Atoms | 44 |
| Complexity | 1854.4073 |
Chemical Identifiers
| CAS Number | 400079-34-7 |
|---|---|
| SMILES | CC(=NNC1=C(C=C(C=N1)C(F)(F)F)Cl)C2=CN(C(=O)N(C2=O)CC3=CC=C(C=C3)F)N(C)C4=C(C=C(C=N4)C(F)(F)F)Cl |
Product Overview
5-[N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-C-methylcarbonimidoyl]-1-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione (CAS 400079-34-7), with molecular formula C26H18Cl2F7N7O2 and molecular weight 663.08 g/mol. IUPAC: 5-[N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-C-methylcarbonimidoyl]-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione.
Chemical Property Profile of 5-[N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-C-methylcarbonimidoyl]-1-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione
Property Insights of 5-[N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-C-methylcarbonimidoyl]-1-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione
The XLogP value of 6.0674 indicates that 5-[N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-C-methylcarbonimidoyl]-1-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.41 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-C-methylcarbonimidoyl]-1-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione. Following Lipinski's Rule of Five, 5-[N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-C-methylcarbonimidoyl]-1-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-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 5-[N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-C-methylcarbonimidoyl]-1-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione?
The CAS number of 5-[N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-C-methylcarbonimidoyl]-1-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione is 400079-34-7.
What is the molecular formula of 5-[N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-C-methylcarbonimidoyl]-1-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione?
The molecular formula of 5-[N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-C-methylcarbonimidoyl]-1-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione is C26H18Cl2F7N7O2.
What is the molecular weight of 5-[N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-C-methylcarbonimidoyl]-1-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione?
The molecular weight of 5-[N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-C-methylcarbonimidoyl]-1-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione is 663.08 g/mol.
Where can I buy 5-[N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-C-methylcarbonimidoyl]-1-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione?
You can request a quote for 5-[N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-C-methylcarbonimidoyl]-1-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-C-methylcarbonimidoyl]-1-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-[N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-C-methylcarbonimidoyl]-1-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.