Carbamic acid, N-(alpha-methyl-m-trifluoromethylphenethyl)-, ethyl ester
TL;DR: Carbamic acid, N-(alpha-methyl-m-trifluoromethylphenethyl)-, ethyl ester (CAS 27891-33-4) is a chemical compound with molecular formula C13H16F3NO2 and molecular weight 275.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]carbamate
Also Known As: N-(alpha-Methyl-3-trifluoromethylphenethyl)carbamic acid ethyl ester, CARBAMIC ACID, N-(alpha-METHYL-m-TRIFLUOROMETHYLPHENETHYL)-, ETHYL ESTER, Carbamic acid, (1-methyl-2-(3-(trifluoromethyl)phenyl)ethyl)-, ethyl ester, ethyl N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]carbamate, ETHYL N-{1-[3-(TRIFLUOROMETHYL)PHENYL]PROPAN-2-YL}CARBAMATE
| Molecular Formula | C13H16F3NO2 |
|---|---|
| Molecular Weight | 275.11 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 275.1133 |
| Heavy Atoms | 19 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 27891-33-4 |
|---|---|
| SMILES | CCOC(=O)NC(C)CC1=CC(=CC=C1)C(F)(F)F |
| InChIKey | BAXFKXBEBIPHLF-UHFFFAOYSA-N |
Product Overview
Carbamic acid, N-(alpha-methyl-m-trifluoromethylphenethyl)-, ethyl ester (CAS 27891-33-4), with molecular formula C13H16F3NO2 and molecular weight 275.11 g/mol. IUPAC: ethyl N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]carbamate.
Chemical Property Profile of Carbamic acid, N-(alpha-methyl-m-trifluoromethylphenethyl)-, ethyl ester
Property Insights of Carbamic acid, N-(alpha-methyl-m-trifluoromethylphenethyl)-, ethyl ester
The XLogP value of 3.6 indicates that Carbamic acid, N-(alpha-methyl-m-trifluoromethylphenethyl)-, 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, Carbamic acid, N-(alpha-methyl-m-trifluoromethylphenethyl)-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, N-(alpha-methyl-m-trifluoromethylphenethyl)-, ethyl ester 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 Carbamic acid, N-(alpha-methyl-m-trifluoromethylphenethyl)-, ethyl ester?
The CAS number of Carbamic acid, N-(alpha-methyl-m-trifluoromethylphenethyl)-, ethyl ester is 27891-33-4.
What is the molecular formula of Carbamic acid, N-(alpha-methyl-m-trifluoromethylphenethyl)-, ethyl ester?
The molecular formula of Carbamic acid, N-(alpha-methyl-m-trifluoromethylphenethyl)-, ethyl ester is C13H16F3NO2.
What is the molecular weight of Carbamic acid, N-(alpha-methyl-m-trifluoromethylphenethyl)-, ethyl ester?
The molecular weight of Carbamic acid, N-(alpha-methyl-m-trifluoromethylphenethyl)-, ethyl ester is 275.11 g/mol.
Where can I buy Carbamic acid, N-(alpha-methyl-m-trifluoromethylphenethyl)-, ethyl ester?
You can request a quote for Carbamic acid, N-(alpha-methyl-m-trifluoromethylphenethyl)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamic acid, N-(alpha-methyl-m-trifluoromethylphenethyl)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, N-(alpha-methyl-m-trifluoromethylphenethyl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.