![Carbamic acid, [4-(trifluoromethyl)benzoyl]-, 2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)ethyl ester structure](/static/products/6966/696648-01-8.webp)
Carbamic acid, [4-(trifluoromethyl)benzoyl]-, 2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)ethyl ester
TL;DR: Carbamic acid, [4-(trifluoromethyl)benzoyl]-, 2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)ethyl ester (CAS 696648-01-8) is a chemical compound with molecular formula C19H13F3N2O5 and molecular weight 406.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dioxoisoindol-2-yl)ethyl N-[4-(trifluoromethyl)benzoyl]carbamate
Also Known As: Carbamic acid, [4-(trifluoromethyl)benzoyl]-, 2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)ethyl ester, A3467/0147005, 2-(1,3-dioxoisoindol-2-yl)ethyl N-[4-(trifluoromethyl)benzoyl]carbamate, 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl [4-(trifluoromethyl)benzoyl]carbamate, 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl {[4-(trifluoromethyl)phenyl]carbonyl}carbamate
| Molecular Formula | C19H13F3N2O5 |
|---|---|
| Molecular Weight | 406.08 g/mol |
| LogP | 2.868 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 406.07767 |
| Heavy Atoms | 29 |
| Complexity | 951.0843 |
Chemical Identifiers
| CAS Number | 696648-01-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)CCOC(=O)NC(=O)C3=CC=C(C=C3)C(F)(F)F |
Product Overview
Carbamic acid, [4-(trifluoromethyl)benzoyl]-, 2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)ethyl ester (CAS 696648-01-8), with molecular formula C19H13F3N2O5 and molecular weight 406.08 g/mol. IUPAC: 2-(1,3-dioxoisoindol-2-yl)ethyl N-[4-(trifluoromethyl)benzoyl]carbamate.
Chemical Property Profile of Carbamic acid, [4-(trifluoromethyl)benzoyl]-, 2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)ethyl ester
Property Insights of Carbamic acid, [4-(trifluoromethyl)benzoyl]-, 2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)ethyl ester
The XLogP value of 2.868 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, [4-(trifluoromethyl)benzoyl]-, 2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)ethyl ester. The TPSA of 92.78 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic acid, [4-(trifluoromethyl)benzoyl]-, 2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)ethyl ester. Following Lipinski's Rule of Five, Carbamic acid, [4-(trifluoromethyl)benzoyl]-, 2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)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, [4-(trifluoromethyl)benzoyl]-, 2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)ethyl ester?
The CAS number of Carbamic acid, [4-(trifluoromethyl)benzoyl]-, 2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)ethyl ester is 696648-01-8.
What is the molecular formula of Carbamic acid, [4-(trifluoromethyl)benzoyl]-, 2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)ethyl ester?
The molecular formula of Carbamic acid, [4-(trifluoromethyl)benzoyl]-, 2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)ethyl ester is C19H13F3N2O5.
What is the molecular weight of Carbamic acid, [4-(trifluoromethyl)benzoyl]-, 2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)ethyl ester?
The molecular weight of Carbamic acid, [4-(trifluoromethyl)benzoyl]-, 2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)ethyl ester is 406.08 g/mol.
Where can I buy Carbamic acid, [4-(trifluoromethyl)benzoyl]-, 2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)ethyl ester?
You can request a quote for Carbamic acid, [4-(trifluoromethyl)benzoyl]-, 2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)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, [4-(trifluoromethyl)benzoyl]-, 2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, [4-(trifluoromethyl)benzoyl]-, 2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.