Benzyl (2,2,2-trifluoro-1-hydroxyethyl)carbamate
TL;DR: Benzyl (2,2,2-trifluoro-1-hydroxyethyl)carbamate (CAS 6798-33-0) is a chemical compound with molecular formula C10H10F3NO3 and molecular weight 249.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-(2,2,2-trifluoro-1-hydroxyethyl)carbamate
Also Known As: Benzyl (2,2,2-trifluoro-1-hydroxyethyl)carbamate, benzyl N-(2,2,2-trifluoro-1-hydroxyethyl)carbamate, benzyl(2,2,2-trifluoro-1-hydroxyethyl)carbamate, benzyl 2,2,2-trifluoro-1-hydroxyethylcarbamate, AE-562/12222284
| Molecular Formula | C10H10F3NO3 |
|---|---|
| Molecular Weight | 249.06 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 249.06128 |
| Heavy Atoms | 17 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 6798-33-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)NC(C(F)(F)F)O |
| InChIKey | HXWXCYLZKBKLEX-UHFFFAOYSA-N |
Product Overview
Benzyl (2,2,2-trifluoro-1-hydroxyethyl)carbamate (CAS 6798-33-0), with molecular formula C10H10F3NO3 and molecular weight 249.06 g/mol. IUPAC: benzyl N-(2,2,2-trifluoro-1-hydroxyethyl)carbamate.
Chemical Property Profile of Benzyl (2,2,2-trifluoro-1-hydroxyethyl)carbamate
Property Insights of Benzyl (2,2,2-trifluoro-1-hydroxyethyl)carbamate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl (2,2,2-trifluoro-1-hydroxyethyl)carbamate. With a topological polar surface area (TPSA) of 58.6 Ų, Benzyl (2,2,2-trifluoro-1-hydroxyethyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl (2,2,2-trifluoro-1-hydroxyethyl)carbamate has 2 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 Benzyl (2,2,2-trifluoro-1-hydroxyethyl)carbamate?
The CAS number of Benzyl (2,2,2-trifluoro-1-hydroxyethyl)carbamate is 6798-33-0.
What is the molecular formula of Benzyl (2,2,2-trifluoro-1-hydroxyethyl)carbamate?
The molecular formula of Benzyl (2,2,2-trifluoro-1-hydroxyethyl)carbamate is C10H10F3NO3.
What is the molecular weight of Benzyl (2,2,2-trifluoro-1-hydroxyethyl)carbamate?
The molecular weight of Benzyl (2,2,2-trifluoro-1-hydroxyethyl)carbamate is 249.06 g/mol.
Where can I buy Benzyl (2,2,2-trifluoro-1-hydroxyethyl)carbamate?
You can request a quote for Benzyl (2,2,2-trifluoro-1-hydroxyethyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl (2,2,2-trifluoro-1-hydroxyethyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl (2,2,2-trifluoro-1-hydroxyethyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.