![2,2,2-trifluoroethyl N-(4-methyl-3-{[(2,2,2-trifluoroethoxy)carbonyl]amino}phenyl)carbamate structure](/static/products/2161/216142-84-6.webp)
2,2,2-trifluoroethyl N-(4-methyl-3-{[(2,2,2-trifluoroethoxy)carbonyl]amino}phenyl)carbamate
TL;DR: 2,2,2-trifluoroethyl N-(4-methyl-3-{[(2,2,2-trifluoroethoxy)carbonyl]amino}phenyl)carbamate (CAS 216142-84-6) is a chemical compound with molecular formula C13H12F6N2O4 and molecular weight 374.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trifluoroethyl N-[2-methyl-5-(2,2,2-trifluoroethoxycarbonylamino)phenyl]carbamate
Also Known As: 2,2,2-trifluoroethyl N-(4-methyl-3-{[(2,2,2-trifluoroethoxy)carbonyl]amino}phenyl)carbamate, 2,4-bis(2,2,2-trifluoroethoxycarbonylamino)toluene, 2,2,2-trifluoroethyl 2-methyl-5-{[(2,2,2-trifluoroethoxy)carbonyl]amino}phenylcarbamate, 2,4-bis(2,2,2-trifluoroethyloxycarbonylamino)toluene, 2,2,2-trifluoroethyl N-[2-methyl-5-(2,2,2-trifluoroethoxycarbonylamino)phenyl]carbamate
| Molecular Formula | C13H12F6N2O4 |
|---|---|
| Molecular Weight | 374.07 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 374.07013 |
| Heavy Atoms | 25 |
| Complexity | 468.0 |
Chemical Identifiers
| CAS Number | 216142-84-6 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)OCC(F)(F)F)NC(=O)OCC(F)(F)F |
| InChIKey | NFCSOMUIDKOUFP-UHFFFAOYSA-N |
Product Overview
2,2,2-trifluoroethyl N-(4-methyl-3-{[(2,2,2-trifluoroethoxy)carbonyl]amino}phenyl)carbamate (CAS 216142-84-6), with molecular formula C13H12F6N2O4 and molecular weight 374.07 g/mol. IUPAC: 2,2,2-trifluoroethyl N-[2-methyl-5-(2,2,2-trifluoroethoxycarbonylamino)phenyl]carbamate.
Chemical Property Profile of 2,2,2-trifluoroethyl N-(4-methyl-3-{[(2,2,2-trifluoroethoxy)carbonyl]amino}phenyl)carbamate
Property Insights of 2,2,2-trifluoroethyl N-(4-methyl-3-{[(2,2,2-trifluoroethoxy)carbonyl]amino}phenyl)carbamate
The XLogP value of 3.4 indicates that 2,2,2-trifluoroethyl N-(4-methyl-3-{[(2,2,2-trifluoroethoxy)carbonyl]amino}phenyl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2,2-trifluoroethyl N-(4-methyl-3-{[(2,2,2-trifluoroethoxy)carbonyl]amino}phenyl)carbamate. Following Lipinski's Rule of Five, 2,2,2-trifluoroethyl N-(4-methyl-3-{[(2,2,2-trifluoroethoxy)carbonyl]amino}phenyl)carbamate has 2 hydrogen bond donor(s) and 10 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-methyl-3-{[(2,2,2-trifluoroethoxy)carbonyl]amino}phenyl)carbamate?
The CAS number of 2,2,2-trifluoroethyl N-(4-methyl-3-{[(2,2,2-trifluoroethoxy)carbonyl]amino}phenyl)carbamate is 216142-84-6.
What is the molecular formula of 2,2,2-trifluoroethyl N-(4-methyl-3-{[(2,2,2-trifluoroethoxy)carbonyl]amino}phenyl)carbamate?
The molecular formula of 2,2,2-trifluoroethyl N-(4-methyl-3-{[(2,2,2-trifluoroethoxy)carbonyl]amino}phenyl)carbamate is C13H12F6N2O4.
What is the molecular weight of 2,2,2-trifluoroethyl N-(4-methyl-3-{[(2,2,2-trifluoroethoxy)carbonyl]amino}phenyl)carbamate?
The molecular weight of 2,2,2-trifluoroethyl N-(4-methyl-3-{[(2,2,2-trifluoroethoxy)carbonyl]amino}phenyl)carbamate is 374.07 g/mol.
Where can I buy 2,2,2-trifluoroethyl N-(4-methyl-3-{[(2,2,2-trifluoroethoxy)carbonyl]amino}phenyl)carbamate?
You can request a quote for 2,2,2-trifluoroethyl N-(4-methyl-3-{[(2,2,2-trifluoroethoxy)carbonyl]amino}phenyl)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-methyl-3-{[(2,2,2-trifluoroethoxy)carbonyl]amino}phenyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-trifluoroethyl N-(4-methyl-3-{[(2,2,2-trifluoroethoxy)carbonyl]amino}phenyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.