2-Bromo-4,6-di-tert-butylphenyl phenylcarbamate
TL;DR: 2-Bromo-4,6-di-tert-butylphenyl phenylcarbamate (CAS 5216-48-8) is a chemical compound with molecular formula C21H26BrNO2 and molecular weight 403.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-bromo-4,6-ditert-butylphenyl) N-phenylcarbamate
Also Known As: 2-Bromo-4,6-di-tert-butylphenyl phenylcarbamate, (2-bromo-4,6-ditert-butylphenyl) N-phenylcarbamate, 2-bromo-4,6-bis(2-methyl-2-propanyl)phenyl phenylcarbamate
| Molecular Formula | C21H26BrNO2 |
|---|---|
| Molecular Weight | 403.11 g/mol |
| LogP | 6.655 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 403.1147 |
| Heavy Atoms | 25 |
| Complexity | 755.946 |
Chemical Identifiers
| CAS Number | 5216-48-8 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C(C(=C1)Br)OC(=O)NC2=CC=CC=C2)C(C)(C)C |
Product Overview
2-Bromo-4,6-di-tert-butylphenyl phenylcarbamate (CAS 5216-48-8), with molecular formula C21H26BrNO2 and molecular weight 403.11 g/mol. IUPAC: (2-bromo-4,6-ditert-butylphenyl) N-phenylcarbamate.
Chemical Property Profile of 2-Bromo-4,6-di-tert-butylphenyl phenylcarbamate
Property Insights of 2-Bromo-4,6-di-tert-butylphenyl phenylcarbamate
The XLogP value of 6.655 indicates that 2-Bromo-4,6-di-tert-butylphenyl phenylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.33 Ų, 2-Bromo-4,6-di-tert-butylphenyl phenylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-4,6-di-tert-butylphenyl phenylcarbamate has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Bromo-4,6-di-tert-butylphenyl phenylcarbamate?
The CAS number of 2-Bromo-4,6-di-tert-butylphenyl phenylcarbamate is 5216-48-8.
What is the molecular formula of 2-Bromo-4,6-di-tert-butylphenyl phenylcarbamate?
The molecular formula of 2-Bromo-4,6-di-tert-butylphenyl phenylcarbamate is C21H26BrNO2.
What is the molecular weight of 2-Bromo-4,6-di-tert-butylphenyl phenylcarbamate?
The molecular weight of 2-Bromo-4,6-di-tert-butylphenyl phenylcarbamate is 403.11 g/mol.
Where can I buy 2-Bromo-4,6-di-tert-butylphenyl phenylcarbamate?
You can request a quote for 2-Bromo-4,6-di-tert-butylphenyl phenylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-4,6-di-tert-butylphenyl phenylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-4,6-di-tert-butylphenyl phenylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.