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Propan-2-yl hydrogen [4-fluoro-3-(trifluoromethyl)phenyl]carbonimidate
TL;DR: Propan-2-yl hydrogen [4-fluoro-3-(trifluoromethyl)phenyl]carbonimidate (CAS 22949-84-4) is a chemical compound with molecular formula C11H11F4NO2 and molecular weight 265.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl N-[4-fluoro-3-(trifluoromethyl)phenyl]carbamate
Also Known As: propan-2-yl[4-fluoro-3-(trifluoromethyl)phenyl]carbamate, Propan-2-yl hydrogen [4-fluoro-3-(trifluoromethyl)phenyl]carbonimidate, propan-2-yl N-[4-fluoro-3-(trifluoromethyl)phenyl]carbamate
| Molecular Formula | C11H11F4NO2 |
|---|---|
| Molecular Weight | 265.07 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 265.0726 |
| Heavy Atoms | 18 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 22949-84-4 |
|---|---|
| SMILES | CC(C)OC(=O)NC1=CC(=C(C=C1)F)C(F)(F)F |
| InChIKey | WKIHLKZZSUQTEM-UHFFFAOYSA-N |
Product Overview
Propan-2-yl hydrogen [4-fluoro-3-(trifluoromethyl)phenyl]carbonimidate (CAS 22949-84-4), with molecular formula C11H11F4NO2 and molecular weight 265.07 g/mol. IUPAC: propan-2-yl N-[4-fluoro-3-(trifluoromethyl)phenyl]carbamate.
Chemical Property Profile of Propan-2-yl hydrogen [4-fluoro-3-(trifluoromethyl)phenyl]carbonimidate
Property Insights of Propan-2-yl hydrogen [4-fluoro-3-(trifluoromethyl)phenyl]carbonimidate
The XLogP value of 4.0 indicates that Propan-2-yl hydrogen [4-fluoro-3-(trifluoromethyl)phenyl]carbonimidate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, Propan-2-yl hydrogen [4-fluoro-3-(trifluoromethyl)phenyl]carbonimidate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propan-2-yl hydrogen [4-fluoro-3-(trifluoromethyl)phenyl]carbonimidate 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 Propan-2-yl hydrogen [4-fluoro-3-(trifluoromethyl)phenyl]carbonimidate?
The CAS number of Propan-2-yl hydrogen [4-fluoro-3-(trifluoromethyl)phenyl]carbonimidate is 22949-84-4.
What is the molecular formula of Propan-2-yl hydrogen [4-fluoro-3-(trifluoromethyl)phenyl]carbonimidate?
The molecular formula of Propan-2-yl hydrogen [4-fluoro-3-(trifluoromethyl)phenyl]carbonimidate is C11H11F4NO2.
What is the molecular weight of Propan-2-yl hydrogen [4-fluoro-3-(trifluoromethyl)phenyl]carbonimidate?
The molecular weight of Propan-2-yl hydrogen [4-fluoro-3-(trifluoromethyl)phenyl]carbonimidate is 265.07 g/mol.
Where can I buy Propan-2-yl hydrogen [4-fluoro-3-(trifluoromethyl)phenyl]carbonimidate?
You can request a quote for Propan-2-yl hydrogen [4-fluoro-3-(trifluoromethyl)phenyl]carbonimidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propan-2-yl hydrogen [4-fluoro-3-(trifluoromethyl)phenyl]carbonimidate?
Yes, KEHONG BIO provides custom synthesis services for Propan-2-yl hydrogen [4-fluoro-3-(trifluoromethyl)phenyl]carbonimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.