Butyl N-(3-trifluoromethylphenyl)carbamate
TL;DR: Butyl N-(3-trifluoromethylphenyl)carbamate (CAS 18584-97-9) is a chemical compound with molecular formula C12H14F3NO2 and molecular weight 261.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl N-[3-(trifluoromethyl)phenyl]carbamate
Also Known As: butyl [3-(trifluoromethyl)phenyl]carbamate, BUTYL N-(3-TRIFLUOROMETHYLPHENYL)CARBAMATE, butyl N-[3-(trifluoromethyl)phenyl]carbamate, butoxy-N-[3-(trifluoromethyl)phenyl]carboxamide, AB00114275-01
| Molecular Formula | C12H14F3NO2 |
|---|---|
| Molecular Weight | 261.10 g/mol |
| LogP | 4.054 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 261.09766 |
| Heavy Atoms | 18 |
| Complexity | 404.55414 |
Chemical Identifiers
| CAS Number | 18584-97-9 |
|---|---|
| SMILES | CCCCOC(=O)NC1=CC=CC(=C1)C(F)(F)F |
Product Overview
Butyl N-(3-trifluoromethylphenyl)carbamate (CAS 18584-97-9), with molecular formula C12H14F3NO2 and molecular weight 261.10 g/mol. IUPAC: butyl N-[3-(trifluoromethyl)phenyl]carbamate.
Chemical Property Profile of Butyl N-(3-trifluoromethylphenyl)carbamate
Property Insights of Butyl N-(3-trifluoromethylphenyl)carbamate
The XLogP value of 4.054 indicates that Butyl N-(3-trifluoromethylphenyl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.33 Ų, Butyl N-(3-trifluoromethylphenyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl N-(3-trifluoromethylphenyl)carbamate has 1 hydrogen bond donor(s) and 2 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 Butyl N-(3-trifluoromethylphenyl)carbamate?
The CAS number of Butyl N-(3-trifluoromethylphenyl)carbamate is 18584-97-9.
What is the molecular formula of Butyl N-(3-trifluoromethylphenyl)carbamate?
The molecular formula of Butyl N-(3-trifluoromethylphenyl)carbamate is C12H14F3NO2.
What is the molecular weight of Butyl N-(3-trifluoromethylphenyl)carbamate?
The molecular weight of Butyl N-(3-trifluoromethylphenyl)carbamate is 261.10 g/mol.
Where can I buy Butyl N-(3-trifluoromethylphenyl)carbamate?
You can request a quote for Butyl N-(3-trifluoromethylphenyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl N-(3-trifluoromethylphenyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Butyl N-(3-trifluoromethylphenyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.