2,2,2-trifluoroethyl N-(4-methoxyphenyl)carbamate
TL;DR: 2,2,2-trifluoroethyl N-(4-methoxyphenyl)carbamate (CAS 537-80-4) 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.
2,2,2-trifluoroethyl N-(4-methoxyphenyl)carbamate
Also Known As: 2,2,2-trifluoroethyl N-(4-methoxyphenyl)carbamate, 2,2,2-trifluoroethyl 4-methoxyphenylcarbamate, BAS 01279291, 2,2,2-trifluoroethylN-(4-methoxyphenyl)carbamate, 4-Methoxyphenylcarbamic acid 2,2,2-trifluoroethyl ester
| Molecular Formula | C10H10F3NO3 |
|---|---|
| Molecular Weight | 249.06 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 249.06128 |
| Heavy Atoms | 17 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 537-80-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC(=O)OCC(F)(F)F |
| InChIKey | BBLOSRZQMXTDJI-UHFFFAOYSA-N |
Product Overview
2,2,2-trifluoroethyl N-(4-methoxyphenyl)carbamate (CAS 537-80-4), with molecular formula C10H10F3NO3 and molecular weight 249.06 g/mol. IUPAC: 2,2,2-trifluoroethyl N-(4-methoxyphenyl)carbamate.
Chemical Property Profile of 2,2,2-trifluoroethyl N-(4-methoxyphenyl)carbamate
Property Insights of 2,2,2-trifluoroethyl N-(4-methoxyphenyl)carbamate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,2-trifluoroethyl N-(4-methoxyphenyl)carbamate. With a topological polar surface area (TPSA) of 47.6 Ų, 2,2,2-trifluoroethyl N-(4-methoxyphenyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,2-trifluoroethyl N-(4-methoxyphenyl)carbamate has 1 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 2,2,2-trifluoroethyl N-(4-methoxyphenyl)carbamate?
The CAS number of 2,2,2-trifluoroethyl N-(4-methoxyphenyl)carbamate is 537-80-4.
What is the molecular formula of 2,2,2-trifluoroethyl N-(4-methoxyphenyl)carbamate?
The molecular formula of 2,2,2-trifluoroethyl N-(4-methoxyphenyl)carbamate is C10H10F3NO3.
What is the molecular weight of 2,2,2-trifluoroethyl N-(4-methoxyphenyl)carbamate?
The molecular weight of 2,2,2-trifluoroethyl N-(4-methoxyphenyl)carbamate is 249.06 g/mol.
Where can I buy 2,2,2-trifluoroethyl N-(4-methoxyphenyl)carbamate?
You can request a quote for 2,2,2-trifluoroethyl N-(4-methoxyphenyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,2-trifluoroethyl N-(4-methoxyphenyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-trifluoroethyl N-(4-methoxyphenyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.