N-((alpha,alpha,alpha-Trifluoro-p-tolyl)carbamoyl)-2-methylalanine methyl ester
TL;DR: N-((alpha,alpha,alpha-Trifluoro-p-tolyl)carbamoyl)-2-methylalanine methyl ester (CAS 70974-15-1) is a chemical compound with molecular formula C13H15F3N2O3 and molecular weight 304.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-methyl-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]propanoate
Also Known As: N-((alpha,alpha,alpha-Trifluoro-p-tolyl)carbamoyl)-2-methylalanine methyl ester, Alanine, 2-methyl-N-(((4-(trifluoromethyl)phenyl)amino)carbonyl)-, methyl ester, Alanine, N-((alpha,alpha,alpha-trifluoro-p-tolyl)carbamoyl)-2-methyl-, methyl ester, methyl 2-methyl-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]propanoate, Alanine,2-methyl-N-[[[4-(trifluoromethyl)phenyl]amino]carbonyl]-, methyl ester
| Molecular Formula | C13H15F3N2O3 |
|---|---|
| Molecular Weight | 304.10 g/mol |
| LogP | 2.7785 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 304.1035 |
| Heavy Atoms | 21 |
| Complexity | 524.4582 |
Chemical Identifiers
| CAS Number | 70974-15-1 |
|---|---|
| SMILES | CC(C)(C(=O)OC)NC(=O)NC1=CC=C(C=C1)C(F)(F)F |
Product Overview
N-((alpha,alpha,alpha-Trifluoro-p-tolyl)carbamoyl)-2-methylalanine methyl ester (CAS 70974-15-1), with molecular formula C13H15F3N2O3 and molecular weight 304.10 g/mol. IUPAC: methyl 2-methyl-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]propanoate.
Chemical Property Profile of N-((alpha,alpha,alpha-Trifluoro-p-tolyl)carbamoyl)-2-methylalanine methyl ester
Property Insights of N-((alpha,alpha,alpha-Trifluoro-p-tolyl)carbamoyl)-2-methylalanine methyl ester
The XLogP value of 2.7785 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-((alpha,alpha,alpha-Trifluoro-p-tolyl)carbamoyl)-2-methylalanine methyl ester. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for N-((alpha,alpha,alpha-Trifluoro-p-tolyl)carbamoyl)-2-methylalanine methyl ester. Following Lipinski's Rule of Five, N-((alpha,alpha,alpha-Trifluoro-p-tolyl)carbamoyl)-2-methylalanine methyl ester has 2 hydrogen bond donor(s) and 3 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 N-((alpha,alpha,alpha-Trifluoro-p-tolyl)carbamoyl)-2-methylalanine methyl ester?
The CAS number of N-((alpha,alpha,alpha-Trifluoro-p-tolyl)carbamoyl)-2-methylalanine methyl ester is 70974-15-1.
What is the molecular formula of N-((alpha,alpha,alpha-Trifluoro-p-tolyl)carbamoyl)-2-methylalanine methyl ester?
The molecular formula of N-((alpha,alpha,alpha-Trifluoro-p-tolyl)carbamoyl)-2-methylalanine methyl ester is C13H15F3N2O3.
What is the molecular weight of N-((alpha,alpha,alpha-Trifluoro-p-tolyl)carbamoyl)-2-methylalanine methyl ester?
The molecular weight of N-((alpha,alpha,alpha-Trifluoro-p-tolyl)carbamoyl)-2-methylalanine methyl ester is 304.10 g/mol.
Where can I buy N-((alpha,alpha,alpha-Trifluoro-p-tolyl)carbamoyl)-2-methylalanine methyl ester?
You can request a quote for N-((alpha,alpha,alpha-Trifluoro-p-tolyl)carbamoyl)-2-methylalanine methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-((alpha,alpha,alpha-Trifluoro-p-tolyl)carbamoyl)-2-methylalanine methyl ester?
Yes, KEHONG BIO provides custom synthesis services for N-((alpha,alpha,alpha-Trifluoro-p-tolyl)carbamoyl)-2-methylalanine methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.