(+)-Mono-1-methyl-2,2,2-trifluoroethyl phthalate
TL;DR: (+)-Mono-1-methyl-2,2,2-trifluoroethyl phthalate (CAS 17659-33-5) is a chemical compound with molecular formula C11H9F3O4 and molecular weight 262.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,1,1-trifluoropropan-2-yloxycarbonyl)benzoic acid
Also Known As: 2-(1,1,1-trifluoropropan-2-yloxycarbonyl)benzoic Acid, (+)-MONO-1-METHYL-2,2,2-TRIFLUOROETHYL PHTHALATE, 2-{[(1,1,1-trifluoropropan-2-yl)oxy]carbonyl}benzoic acid, PHTHALIC ACID MONO-(2,2,2-TRIFLUORO-1-METHYL-ETHYL) ESTER
| Molecular Formula | C11H9F3O4 |
|---|---|
| Molecular Weight | 262.05 g/mol |
| LogP | 2.4924 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 262.0453 |
| Heavy Atoms | 18 |
| Complexity | 467.6013 |
Chemical Identifiers
| CAS Number | 17659-33-5 |
|---|---|
| SMILES | CC(C(F)(F)F)OC(=O)C1=CC=CC=C1C(=O)O |
Product Overview
(+)-Mono-1-methyl-2,2,2-trifluoroethyl phthalate (CAS 17659-33-5), with molecular formula C11H9F3O4 and molecular weight 262.05 g/mol. IUPAC: 2-(1,1,1-trifluoropropan-2-yloxycarbonyl)benzoic acid.
Chemical Property Profile of (+)-Mono-1-methyl-2,2,2-trifluoroethyl phthalate
Property Insights of (+)-Mono-1-methyl-2,2,2-trifluoroethyl phthalate
The XLogP value of 2.4924 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (+)-Mono-1-methyl-2,2,2-trifluoroethyl phthalate. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (+)-Mono-1-methyl-2,2,2-trifluoroethyl phthalate. Following Lipinski's Rule of Five, (+)-Mono-1-methyl-2,2,2-trifluoroethyl phthalate 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 (+)-Mono-1-methyl-2,2,2-trifluoroethyl phthalate?
The CAS number of (+)-Mono-1-methyl-2,2,2-trifluoroethyl phthalate is 17659-33-5.
What is the molecular formula of (+)-Mono-1-methyl-2,2,2-trifluoroethyl phthalate?
The molecular formula of (+)-Mono-1-methyl-2,2,2-trifluoroethyl phthalate is C11H9F3O4.
What is the molecular weight of (+)-Mono-1-methyl-2,2,2-trifluoroethyl phthalate?
The molecular weight of (+)-Mono-1-methyl-2,2,2-trifluoroethyl phthalate is 262.05 g/mol.
Where can I buy (+)-Mono-1-methyl-2,2,2-trifluoroethyl phthalate?
You can request a quote for (+)-Mono-1-methyl-2,2,2-trifluoroethyl phthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (+)-Mono-1-methyl-2,2,2-trifluoroethyl phthalate?
Yes, KEHONG BIO provides custom synthesis services for (+)-Mono-1-methyl-2,2,2-trifluoroethyl phthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.