N-(2,2,2-Trifluoroethyl)-3,6-endoxohexahydrophthalamic acid
TL;DR: N-(2,2,2-Trifluoroethyl)-3,6-endoxohexahydrophthalamic acid (CAS 73806-06-1) is a chemical compound with molecular formula C10H12F3NO4 and molecular weight 267.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,2,2-trifluoroethylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Also Known As: N-(2,2,2-Trifluoroethyl)-3,6-endoxohexahydrophthalamic acid, 3,6-Epoxyphthalamic acid, hexahydro-N-(2,2,2-trifluoroethyl)-, 7-Oxabicyclo(2.2.1)heptane-2-carboxylic acid, 3-((2,2,2-trifluoroethyl)carbamoyl)-, 2-(2,2,2-trifluoroethylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid, 3-[(2,2,2-Trifluoroethyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
| Molecular Formula | C10H12F3NO4 |
|---|---|
| Molecular Weight | 267.07 g/mol |
| LogP | 0.5431 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.07184 |
| Heavy Atoms | 18 |
| Complexity | 370.6245 |
Chemical Identifiers
| CAS Number | 73806-06-1 |
|---|---|
| SMILES | C1CC2C(C(C1O2)C(=O)NCC(F)(F)F)C(=O)O |
Product Overview
N-(2,2,2-Trifluoroethyl)-3,6-endoxohexahydrophthalamic acid (CAS 73806-06-1), with molecular formula C10H12F3NO4 and molecular weight 267.07 g/mol. IUPAC: 3-(2,2,2-trifluoroethylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid.
Chemical Property Profile of N-(2,2,2-Trifluoroethyl)-3,6-endoxohexahydrophthalamic acid
Property Insights of N-(2,2,2-Trifluoroethyl)-3,6-endoxohexahydrophthalamic acid
The XLogP value of 0.5431 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2,2,2-Trifluoroethyl)-3,6-endoxohexahydrophthalamic acid. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2,2,2-Trifluoroethyl)-3,6-endoxohexahydrophthalamic acid. Following Lipinski's Rule of Five, N-(2,2,2-Trifluoroethyl)-3,6-endoxohexahydrophthalamic acid has 2 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 N-(2,2,2-Trifluoroethyl)-3,6-endoxohexahydrophthalamic acid?
The CAS number of N-(2,2,2-Trifluoroethyl)-3,6-endoxohexahydrophthalamic acid is 73806-06-1.
What is the molecular formula of N-(2,2,2-Trifluoroethyl)-3,6-endoxohexahydrophthalamic acid?
The molecular formula of N-(2,2,2-Trifluoroethyl)-3,6-endoxohexahydrophthalamic acid is C10H12F3NO4.
What is the molecular weight of N-(2,2,2-Trifluoroethyl)-3,6-endoxohexahydrophthalamic acid?
The molecular weight of N-(2,2,2-Trifluoroethyl)-3,6-endoxohexahydrophthalamic acid is 267.07 g/mol.
Where can I buy N-(2,2,2-Trifluoroethyl)-3,6-endoxohexahydrophthalamic acid?
You can request a quote for N-(2,2,2-Trifluoroethyl)-3,6-endoxohexahydrophthalamic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2,2,2-Trifluoroethyl)-3,6-endoxohexahydrophthalamic acid?
Yes, KEHONG BIO provides custom synthesis services for N-(2,2,2-Trifluoroethyl)-3,6-endoxohexahydrophthalamic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.