(R)-methyl 3,3,3-trifluoro-2-(2-fluorobenzamido)-2-((3-methyl-1-phenyl-1H-pyrazol-5-yl)amino)propanoate
TL;DR: (R)-methyl 3,3,3-trifluoro-2-(2-fluorobenzamido)-2-((3-methyl-1-phenyl-1H-pyrazol-5-yl)amino)propanoate (CAS 524716-23-2) is a chemical compound with molecular formula C21H18F4N4O3 and molecular weight 450.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,3,3-trifluoro-2-[(2-fluorobenzoyl)amino]-2-[(5-methyl-2-phenylpyrazol-3-yl)amino]propanoate
Also Known As: (R)-methyl 3,3,3-trifluoro-2-(2-fluorobenzamido)-2-((3-methyl-1-phenyl-1H-pyrazol-5-yl)amino)propanoate, 3,3,3-Trifluoro-2-(2-fluoro-benzoylamino)-2-(5-methyl-2-phenyl-2H-pyrazol-3-ylamino)-propionic acid methyl ester, Methyl 3,3,3-trifluoro-2-[(2-fluorobenzoyl)amino]-2-[(3-methyl-1-phenyl-1H-pyrazol-5-yl)amino]propanoate #, methyl 3,3,3-trifluoro-2-[(2-fluorobenzoyl)amino]-2-[(5-methyl-2-phenylpyrazol-3-yl)amino]propanoate, methyl 3,3,3-trifluoro-2-{[(2-fluorophenyl)carbonyl]amino}-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)alaninate
| Molecular Formula | C21H18F4N4O3 |
|---|---|
| Molecular Weight | 450.13 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 85.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 450.1315 |
| Heavy Atoms | 32 |
| Complexity | 674.0 |
Chemical Identifiers
| CAS Number | 524716-23-2 |
|---|---|
| SMILES | CC1=NN(C(=C1)NC(C(=O)OC)(C(F)(F)F)NC(=O)C2=CC=CC=C2F)C3=CC=CC=C3 |
| InChIKey | FHZRICVWRLYMFX-UHFFFAOYSA-N |
Product Overview
(R)-methyl 3,3,3-trifluoro-2-(2-fluorobenzamido)-2-((3-methyl-1-phenyl-1H-pyrazol-5-yl)amino)propanoate (CAS 524716-23-2), with molecular formula C21H18F4N4O3 and molecular weight 450.13 g/mol. IUPAC: methyl 3,3,3-trifluoro-2-[(2-fluorobenzoyl)amino]-2-[(5-methyl-2-phenylpyrazol-3-yl)amino]propanoate.
Chemical Property Profile of (R)-methyl 3,3,3-trifluoro-2-(2-fluorobenzamido)-2-((3-methyl-1-phenyl-1H-pyrazol-5-yl)amino)propanoate
Property Insights of (R)-methyl 3,3,3-trifluoro-2-(2-fluorobenzamido)-2-((3-methyl-1-phenyl-1H-pyrazol-5-yl)amino)propanoate
The XLogP value of 5.2 indicates that (R)-methyl 3,3,3-trifluoro-2-(2-fluorobenzamido)-2-((3-methyl-1-phenyl-1H-pyrazol-5-yl)amino)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (R)-methyl 3,3,3-trifluoro-2-(2-fluorobenzamido)-2-((3-methyl-1-phenyl-1H-pyrazol-5-yl)amino)propanoate. Following Lipinski's Rule of Five, (R)-methyl 3,3,3-trifluoro-2-(2-fluorobenzamido)-2-((3-methyl-1-phenyl-1H-pyrazol-5-yl)amino)propanoate has 2 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 (R)-methyl 3,3,3-trifluoro-2-(2-fluorobenzamido)-2-((3-methyl-1-phenyl-1H-pyrazol-5-yl)amino)propanoate?
The CAS number of (R)-methyl 3,3,3-trifluoro-2-(2-fluorobenzamido)-2-((3-methyl-1-phenyl-1H-pyrazol-5-yl)amino)propanoate is 524716-23-2.
What is the molecular formula of (R)-methyl 3,3,3-trifluoro-2-(2-fluorobenzamido)-2-((3-methyl-1-phenyl-1H-pyrazol-5-yl)amino)propanoate?
The molecular formula of (R)-methyl 3,3,3-trifluoro-2-(2-fluorobenzamido)-2-((3-methyl-1-phenyl-1H-pyrazol-5-yl)amino)propanoate is C21H18F4N4O3.
What is the molecular weight of (R)-methyl 3,3,3-trifluoro-2-(2-fluorobenzamido)-2-((3-methyl-1-phenyl-1H-pyrazol-5-yl)amino)propanoate?
The molecular weight of (R)-methyl 3,3,3-trifluoro-2-(2-fluorobenzamido)-2-((3-methyl-1-phenyl-1H-pyrazol-5-yl)amino)propanoate is 450.13 g/mol.
Where can I buy (R)-methyl 3,3,3-trifluoro-2-(2-fluorobenzamido)-2-((3-methyl-1-phenyl-1H-pyrazol-5-yl)amino)propanoate?
You can request a quote for (R)-methyl 3,3,3-trifluoro-2-(2-fluorobenzamido)-2-((3-methyl-1-phenyl-1H-pyrazol-5-yl)amino)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (R)-methyl 3,3,3-trifluoro-2-(2-fluorobenzamido)-2-((3-methyl-1-phenyl-1H-pyrazol-5-yl)amino)propanoate?
Yes, KEHONG BIO provides custom synthesis services for (R)-methyl 3,3,3-trifluoro-2-(2-fluorobenzamido)-2-((3-methyl-1-phenyl-1H-pyrazol-5-yl)amino)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.