Methyl (4-bromo-3-(trifluoromethyl)phenyl)carbamate
TL;DR: Methyl (4-bromo-3-(trifluoromethyl)phenyl)carbamate (CAS 36016-08-7) is a chemical compound with molecular formula C9H7BrF3NO2 and molecular weight 296.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-[4-bromo-3-(trifluoromethyl)phenyl]carbamate
Also Known As: methyl (4-bromo-3-(trifluoromethyl)phenyl)carbamate, methyl [4-bromo-3-(trifluoromethyl)phenyl]carbamate, methyl N-[4-bromo-3-(trifluoromethyl)phenyl]carbamate
| Molecular Formula | C9H7BrF3NO2 |
|---|---|
| Molecular Weight | 296.96 g/mol |
| LogP | 3.6462 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 296.96124 |
| Heavy Atoms | 16 |
| Complexity | 406.23083 |
Chemical Identifiers
| CAS Number | 36016-08-7 |
|---|---|
| SMILES | COC(=O)NC1=CC(=C(C=C1)Br)C(F)(F)F |
Product Overview
Methyl (4-bromo-3-(trifluoromethyl)phenyl)carbamate (CAS 36016-08-7), with molecular formula C9H7BrF3NO2 and molecular weight 296.96 g/mol. IUPAC: methyl N-[4-bromo-3-(trifluoromethyl)phenyl]carbamate.
Chemical Property Profile of Methyl (4-bromo-3-(trifluoromethyl)phenyl)carbamate
Property Insights of Methyl (4-bromo-3-(trifluoromethyl)phenyl)carbamate
The XLogP value of 3.6462 indicates that Methyl (4-bromo-3-(trifluoromethyl)phenyl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.33 Ų, Methyl (4-bromo-3-(trifluoromethyl)phenyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl (4-bromo-3-(trifluoromethyl)phenyl)carbamate has 1 hydrogen bond donor(s) and 2 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 Methyl (4-bromo-3-(trifluoromethyl)phenyl)carbamate?
The CAS number of Methyl (4-bromo-3-(trifluoromethyl)phenyl)carbamate is 36016-08-7.
What is the molecular formula of Methyl (4-bromo-3-(trifluoromethyl)phenyl)carbamate?
The molecular formula of Methyl (4-bromo-3-(trifluoromethyl)phenyl)carbamate is C9H7BrF3NO2.
What is the molecular weight of Methyl (4-bromo-3-(trifluoromethyl)phenyl)carbamate?
The molecular weight of Methyl (4-bromo-3-(trifluoromethyl)phenyl)carbamate is 296.96 g/mol.
Where can I buy Methyl (4-bromo-3-(trifluoromethyl)phenyl)carbamate?
You can request a quote for Methyl (4-bromo-3-(trifluoromethyl)phenyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (4-bromo-3-(trifluoromethyl)phenyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (4-bromo-3-(trifluoromethyl)phenyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.