Acetic acid, (alpha-methyl-m-trifluoromethylphenethylamino)-, ethyl ester
TL;DR: Acetic acid, (alpha-methyl-m-trifluoromethylphenethylamino)-, ethyl ester (CAS 29484-98-8) is a chemical compound with molecular formula C14H18F3NO2 and molecular weight 289.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]acetate
Also Known As: (alpha-Methyl-m-trifluoromethylphenethylamino)acetic acid ethyl ester, ACETIC ACID, (alpha-METHYL-m-TRIFLUOROMETHYLPHENETHYLAMINO)-, ETHYL ESTER, ethyl 2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]acetate, ethyl N-{1-[3-(trifluoromethyl)phenyl]propan-2-yl}glycinate, [1-Methyl-2-(3-trifluoromethylphenyl)ethyl]aminoacetic acid ethyl ester
| Molecular Formula | C14H18F3NO2 |
|---|---|
| Molecular Weight | 289.13 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 289.12897 |
| Heavy Atoms | 20 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 29484-98-8 |
|---|---|
| SMILES | CCOC(=O)CNC(C)CC1=CC(=CC=C1)C(F)(F)F |
| InChIKey | KGFKDHXNUQIRQW-UHFFFAOYSA-N |
Product Overview
Acetic acid, (alpha-methyl-m-trifluoromethylphenethylamino)-, ethyl ester (CAS 29484-98-8), with molecular formula C14H18F3NO2 and molecular weight 289.13 g/mol. IUPAC: ethyl 2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]acetate.
Chemical Property Profile of Acetic acid, (alpha-methyl-m-trifluoromethylphenethylamino)-, ethyl ester
Property Insights of Acetic acid, (alpha-methyl-m-trifluoromethylphenethylamino)-, ethyl ester
The XLogP value of 3.4 indicates that Acetic acid, (alpha-methyl-m-trifluoromethylphenethylamino)-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, Acetic acid, (alpha-methyl-m-trifluoromethylphenethylamino)-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, (alpha-methyl-m-trifluoromethylphenethylamino)-, ethyl ester has 1 hydrogen bond donor(s) and 6 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 Acetic acid, (alpha-methyl-m-trifluoromethylphenethylamino)-, ethyl ester?
The CAS number of Acetic acid, (alpha-methyl-m-trifluoromethylphenethylamino)-, ethyl ester is 29484-98-8.
What is the molecular formula of Acetic acid, (alpha-methyl-m-trifluoromethylphenethylamino)-, ethyl ester?
The molecular formula of Acetic acid, (alpha-methyl-m-trifluoromethylphenethylamino)-, ethyl ester is C14H18F3NO2.
What is the molecular weight of Acetic acid, (alpha-methyl-m-trifluoromethylphenethylamino)-, ethyl ester?
The molecular weight of Acetic acid, (alpha-methyl-m-trifluoromethylphenethylamino)-, ethyl ester is 289.13 g/mol.
Where can I buy Acetic acid, (alpha-methyl-m-trifluoromethylphenethylamino)-, ethyl ester?
You can request a quote for Acetic acid, (alpha-methyl-m-trifluoromethylphenethylamino)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, (alpha-methyl-m-trifluoromethylphenethylamino)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, (alpha-methyl-m-trifluoromethylphenethylamino)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.