4-Pyridinylmethyl 3-(trifluoromethyl)phenylcarbamate
TL;DR: 4-Pyridinylmethyl 3-(trifluoromethyl)phenylcarbamate (CAS 444791-78-0) is a chemical compound with molecular formula C14H11F3N2O2 and molecular weight 296.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pyridin-4-ylmethyl N-[3-(trifluoromethyl)phenyl]carbamate
Also Known As: 4-pyridinylmethyl 3-(trifluoromethyl)phenylcarbamate, AI-204/31710011, pyridin-4-ylmethyl N-[3-(trifluoromethyl)phenyl]carbamate
| Molecular Formula | C14H11F3N2O2 |
|---|---|
| Molecular Weight | 296.08 g/mol |
| LogP | 3.8491 |
| Topological Polar Surface Area | 51.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.07727 |
| Heavy Atoms | 21 |
| Complexity | 615.1162 |
Chemical Identifiers
| CAS Number | 444791-78-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=O)OCC2=CC=NC=C2)C(F)(F)F |
Product Overview
4-Pyridinylmethyl 3-(trifluoromethyl)phenylcarbamate (CAS 444791-78-0), with molecular formula C14H11F3N2O2 and molecular weight 296.08 g/mol. IUPAC: pyridin-4-ylmethyl N-[3-(trifluoromethyl)phenyl]carbamate.
Chemical Property Profile of 4-Pyridinylmethyl 3-(trifluoromethyl)phenylcarbamate
Property Insights of 4-Pyridinylmethyl 3-(trifluoromethyl)phenylcarbamate
The XLogP value of 3.8491 indicates that 4-Pyridinylmethyl 3-(trifluoromethyl)phenylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.22 Ų, 4-Pyridinylmethyl 3-(trifluoromethyl)phenylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Pyridinylmethyl 3-(trifluoromethyl)phenylcarbamate has 1 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 4-Pyridinylmethyl 3-(trifluoromethyl)phenylcarbamate?
The CAS number of 4-Pyridinylmethyl 3-(trifluoromethyl)phenylcarbamate is 444791-78-0.
What is the molecular formula of 4-Pyridinylmethyl 3-(trifluoromethyl)phenylcarbamate?
The molecular formula of 4-Pyridinylmethyl 3-(trifluoromethyl)phenylcarbamate is C14H11F3N2O2.
What is the molecular weight of 4-Pyridinylmethyl 3-(trifluoromethyl)phenylcarbamate?
The molecular weight of 4-Pyridinylmethyl 3-(trifluoromethyl)phenylcarbamate is 296.08 g/mol.
Where can I buy 4-Pyridinylmethyl 3-(trifluoromethyl)phenylcarbamate?
You can request a quote for 4-Pyridinylmethyl 3-(trifluoromethyl)phenylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Pyridinylmethyl 3-(trifluoromethyl)phenylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 4-Pyridinylmethyl 3-(trifluoromethyl)phenylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.