![Carbamic acid, [3-(trifluoromethyl)phenyl]-, 4-(1,1-dimethylethyl)phenyl ester structure](/static/products/5016/501685-15-0.webp)
Carbamic acid, [3-(trifluoromethyl)phenyl]-, 4-(1,1-dimethylethyl)phenyl ester
TL;DR: Carbamic acid, [3-(trifluoromethyl)phenyl]-, 4-(1,1-dimethylethyl)phenyl ester (CAS 501685-15-0) is a chemical compound with molecular formula C18H18F3NO2 and molecular weight 337.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-tert-butylphenyl) N-[3-(trifluoromethyl)phenyl]carbamate
Also Known As: 4-tert-Butylphenyl [3-(trifluoromethyl)phenyl]carbamate, (4-tert-butylphenyl) N-[3-(trifluoromethyl)phenyl]carbamate, Carbamic acid, [3-(trifluoromethyl)phenyl]-, 4-(1,1-dimethylethyl)phenyl ester
| Molecular Formula | C18H18F3NO2 |
|---|---|
| Molecular Weight | 337.13 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 337.12897 |
| Heavy Atoms | 24 |
| Complexity | 423.0 |
Chemical Identifiers
| CAS Number | 501685-15-0 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)OC(=O)NC2=CC=CC(=C2)C(F)(F)F |
| InChIKey | XTTXANHGCULIOX-UHFFFAOYSA-N |
Product Overview
Carbamic acid, [3-(trifluoromethyl)phenyl]-, 4-(1,1-dimethylethyl)phenyl ester (CAS 501685-15-0), with molecular formula C18H18F3NO2 and molecular weight 337.13 g/mol. IUPAC: (4-tert-butylphenyl) N-[3-(trifluoromethyl)phenyl]carbamate.
Chemical Property Profile of Carbamic acid, [3-(trifluoromethyl)phenyl]-, 4-(1,1-dimethylethyl)phenyl ester
Property Insights of Carbamic acid, [3-(trifluoromethyl)phenyl]-, 4-(1,1-dimethylethyl)phenyl ester
The XLogP value of 6.0 indicates that Carbamic acid, [3-(trifluoromethyl)phenyl]-, 4-(1,1-dimethylethyl)phenyl 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, [3-(trifluoromethyl)phenyl]-, 4-(1,1-dimethylethyl)phenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, [3-(trifluoromethyl)phenyl]-, 4-(1,1-dimethylethyl)phenyl ester has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Carbamic acid, [3-(trifluoromethyl)phenyl]-, 4-(1,1-dimethylethyl)phenyl ester?
The CAS number of Carbamic acid, [3-(trifluoromethyl)phenyl]-, 4-(1,1-dimethylethyl)phenyl ester is 501685-15-0.
What is the molecular formula of Carbamic acid, [3-(trifluoromethyl)phenyl]-, 4-(1,1-dimethylethyl)phenyl ester?
The molecular formula of Carbamic acid, [3-(trifluoromethyl)phenyl]-, 4-(1,1-dimethylethyl)phenyl ester is C18H18F3NO2.
What is the molecular weight of Carbamic acid, [3-(trifluoromethyl)phenyl]-, 4-(1,1-dimethylethyl)phenyl ester?
The molecular weight of Carbamic acid, [3-(trifluoromethyl)phenyl]-, 4-(1,1-dimethylethyl)phenyl ester is 337.13 g/mol.
Where can I buy Carbamic acid, [3-(trifluoromethyl)phenyl]-, 4-(1,1-dimethylethyl)phenyl ester?
You can request a quote for Carbamic acid, [3-(trifluoromethyl)phenyl]-, 4-(1,1-dimethylethyl)phenyl 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, [3-(trifluoromethyl)phenyl]-, 4-(1,1-dimethylethyl)phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, [3-(trifluoromethyl)phenyl]-, 4-(1,1-dimethylethyl)phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.