1R-0645
TL;DR: 1R-0645 (CAS 477710-49-9) is a chemical compound with molecular formula C21H19F3N4O3 and molecular weight 432.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3,5-dimethyl-1-[5-[[3-(trifluoromethyl)benzoyl]amino]-2-pyridinyl]pyrazole-4-carboxylate
Also Known As: 1R-0645, Ethyl 3,5-dimethyl-1-[5-[[3-(trifluoromethyl)benzoyl]amino]pyridin-2-yl]pyrazole-4-carboxylate, ethyl 3,5-dimethyl-1-(5-{[3-(trifluoromethyl)benzoyl]amino}-2-pyridinyl)-1H-pyrazole-4-carboxylate, ethyl 3,5-dimethyl-1-{5-[3-(trifluoromethyl)benzamido]pyridin-2-yl}-1H-pyrazole-4-carboxylate, ethyl 3,5-dimethyl-1-{5-[3-(trifluoromethyl)benzamido]pyridin-2-yl}pyrazole-4-carboxylate
| Molecular Formula | C21H19F3N4O3 |
|---|---|
| Molecular Weight | 432.14 g/mol |
| LogP | 4.33194 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 432.14093 |
| Heavy Atoms | 31 |
| Complexity | 1121.8889 |
Chemical Identifiers
| CAS Number | 477710-49-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(N=C1C)C2=NC=C(C=C2)NC(=O)C3=CC(=CC=C3)C(F)(F)F)C |
Product Overview
1R-0645 (CAS 477710-49-9), with molecular formula C21H19F3N4O3 and molecular weight 432.14 g/mol. IUPAC: ethyl 3,5-dimethyl-1-[5-[[3-(trifluoromethyl)benzoyl]amino]-2-pyridinyl]pyrazole-4-carboxylate.
Chemical Property Profile of 1R-0645
Property Insights of 1R-0645
The XLogP value of 4.33194 indicates that 1R-0645 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 1R-0645. Following Lipinski's Rule of Five, 1R-0645 has 1 hydrogen bond donor(s) and 5 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 1R-0645?
The CAS number of 1R-0645 is 477710-49-9.
What is the molecular formula of 1R-0645?
The molecular formula of 1R-0645 is C21H19F3N4O3.
What is the molecular weight of 1R-0645?
The molecular weight of 1R-0645 is 432.14 g/mol.
Where can I buy 1R-0645?
You can request a quote for 1R-0645 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1R-0645?
Yes, KEHONG BIO provides custom synthesis services for 1R-0645 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.