![methyl 2-(2-{[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]carbonyl}hydrazino)-4-(trifluoromethyl)pyrimidine-5-carboxylate structure](/static/products/6484/648427-12-7.webp)
methyl 2-(2-{[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]carbonyl}hydrazino)-4-(trifluoromethyl)pyrimidine-5-carboxylate
TL;DR: methyl 2-(2-{[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]carbonyl}hydrazino)-4-(trifluoromethyl)pyrimidine-5-carboxylate (CAS 648427-12-7) is a chemical compound with molecular formula C13H7ClF6N6O3 and molecular weight 444.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-[2-chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl]hydrazinyl]-4-(trifluoromethyl)pyrimidine-5-carboxylate
Also Known As: methyl 2-(2-{[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]carbonyl}hydrazino)-4-(trifluoromethyl)pyrimidine-5-carboxylate, methyl 2-(2-{[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]carbonyl}hydrazino)-4-(trifluoromethyl)pyri, methyl 2-[2-[2-chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl]hydrazinyl]-4-(trifluoromethyl)pyrimidine-5-carboxylate, Methyl 2-(2-(2-chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl)hydrazinyl)-4-(trifluoromethyl)pyrimidine-5-carboxylate, methyl 2-[2-chloro-4-(trifluoromethyl)pyrimidin-5-ylhydrazido]-4-(trifluoromethyl)pyrimidine-5-carboxylate
| Molecular Formula | C13H7ClF6N6O3 |
|---|---|
| Molecular Weight | 444.02 g/mol |
| LogP | 2.5011 |
| Topological Polar Surface Area | 118.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 444.01724 |
| Heavy Atoms | 29 |
| Complexity | 951.6124 |
Chemical Identifiers
| CAS Number | 648427-12-7 |
|---|---|
| SMILES | COC(=O)C1=CN=C(N=C1C(F)(F)F)NNC(=O)C2=CN=C(N=C2C(F)(F)F)Cl |
Product Overview
methyl 2-(2-{[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]carbonyl}hydrazino)-4-(trifluoromethyl)pyrimidine-5-carboxylate (CAS 648427-12-7), with molecular formula C13H7ClF6N6O3 and molecular weight 444.02 g/mol. IUPAC: methyl 2-[2-[2-chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl]hydrazinyl]-4-(trifluoromethyl)pyrimidine-5-carboxylate.
Chemical Property Profile of methyl 2-(2-{[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]carbonyl}hydrazino)-4-(trifluoromethyl)pyrimidine-5-carboxylate
Property Insights of methyl 2-(2-{[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]carbonyl}hydrazino)-4-(trifluoromethyl)pyrimidine-5-carboxylate
The XLogP value of 2.5011 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-(2-{[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]carbonyl}hydrazino)-4-(trifluoromethyl)pyrimidine-5-carboxylate. The TPSA of 118.99 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(2-{[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]carbonyl}hydrazino)-4-(trifluoromethyl)pyrimidine-5-carboxylate. Following Lipinski's Rule of Five, methyl 2-(2-{[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]carbonyl}hydrazino)-4-(trifluoromethyl)pyrimidine-5-carboxylate has 2 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 methyl 2-(2-{[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]carbonyl}hydrazino)-4-(trifluoromethyl)pyrimidine-5-carboxylate?
The CAS number of methyl 2-(2-{[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]carbonyl}hydrazino)-4-(trifluoromethyl)pyrimidine-5-carboxylate is 648427-12-7.
What is the molecular formula of methyl 2-(2-{[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]carbonyl}hydrazino)-4-(trifluoromethyl)pyrimidine-5-carboxylate?
The molecular formula of methyl 2-(2-{[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]carbonyl}hydrazino)-4-(trifluoromethyl)pyrimidine-5-carboxylate is C13H7ClF6N6O3.
What is the molecular weight of methyl 2-(2-{[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]carbonyl}hydrazino)-4-(trifluoromethyl)pyrimidine-5-carboxylate?
The molecular weight of methyl 2-(2-{[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]carbonyl}hydrazino)-4-(trifluoromethyl)pyrimidine-5-carboxylate is 444.02 g/mol.
Where can I buy methyl 2-(2-{[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]carbonyl}hydrazino)-4-(trifluoromethyl)pyrimidine-5-carboxylate?
You can request a quote for methyl 2-(2-{[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]carbonyl}hydrazino)-4-(trifluoromethyl)pyrimidine-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-(2-{[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]carbonyl}hydrazino)-4-(trifluoromethyl)pyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(2-{[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]carbonyl}hydrazino)-4-(trifluoromethyl)pyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.