4-Bromo-3,5-dimethylphenyl N-methylcarbamate
TL;DR: 4-Bromo-3,5-dimethylphenyl N-methylcarbamate (CAS 672-99-1) is a chemical compound with molecular formula C10H12BrNO2 and molecular weight 257.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromo-3,5-dimethylphenyl) N-methylcarbamate
Also Known As: 4-Bromo-3,5-dimethylphenyl N-methylcarbamate, BDMC, BDMC, analytical standard, 4-Bromo-3,5-Dimethylphenyl-N-Methylcarbamate, (4-bromo-3,5-dimethylphenyl) N-methylcarbamate
| Molecular Formula | C10H12BrNO2 |
|---|---|
| Molecular Weight | 257.01 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 257.00513 |
| Heavy Atoms | 14 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 672-99-1 |
|---|---|
| SMILES | CC1=CC(=CC(=C1Br)C)OC(=O)NC |
| InChIKey | ZOZFMTULOYRWEL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Bromo-3,5-dimethylphenyl N-methylcarbamate (CAS 672-99-1), with molecular formula C10H12BrNO2 and molecular weight 257.01 g/mol. IUPAC: (4-bromo-3,5-dimethylphenyl) N-methylcarbamate.
Chemical Property Profile of 4-Bromo-3,5-dimethylphenyl N-methylcarbamate
Property Insights of 4-Bromo-3,5-dimethylphenyl N-methylcarbamate
The XLogP value of 3.1 indicates that 4-Bromo-3,5-dimethylphenyl N-methylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, 4-Bromo-3,5-dimethylphenyl N-methylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-3,5-dimethylphenyl N-methylcarbamate 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 4-Bromo-3,5-dimethylphenyl N-methylcarbamate?
The CAS number of 4-Bromo-3,5-dimethylphenyl N-methylcarbamate is 672-99-1.
What is the molecular formula of 4-Bromo-3,5-dimethylphenyl N-methylcarbamate?
The molecular formula of 4-Bromo-3,5-dimethylphenyl N-methylcarbamate is C10H12BrNO2.
What is the molecular weight of 4-Bromo-3,5-dimethylphenyl N-methylcarbamate?
The molecular weight of 4-Bromo-3,5-dimethylphenyl N-methylcarbamate is 257.01 g/mol.
Where can I buy 4-Bromo-3,5-dimethylphenyl N-methylcarbamate?
You can request a quote for 4-Bromo-3,5-dimethylphenyl N-methylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-3,5-dimethylphenyl N-methylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-3,5-dimethylphenyl N-methylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.