3-溴苯基甲基氨基甲酸酯
TL;DR: 3-溴苯基甲基氨基甲酸酯 (CAS 13538-60-8) is a chemical compound with molecular formula C8H8BrNO2 and molecular weight 228.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-溴苯基甲基氨基甲酸酯
(3-bromophenyl) N-methylcarbamate
Also Known As: 3-Bromophenyl methylcarbamate, 8-Hydroxygenistein, 3-Bromophenol methylcarbamate, (3-bromophenyl) N-methylcarbamate, Phenol, 3-bromo-, methylcarbamate
| Molecular Formula | C8H8BrNO2 |
|---|---|
| Molecular Weight | 228.97 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.97385 |
| Heavy Atoms | 12 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 13538-60-8 |
|---|---|
| SMILES | CNC(=O)OC1=CC(=CC=C1)Br |
| InChIKey | OBHYWLDQVOJAMW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-溴苯基甲基氨基甲酸酯 (CAS 13538-60-8), with molecular formula C8H8BrNO2 and molecular weight 228.97 g/mol. IUPAC: (3-bromophenyl) N-methylcarbamate.
Chemical Property Profile of 3-溴苯基甲基氨基甲酸酯
Property Insights of 3-溴苯基甲基氨基甲酸酯
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-溴苯基甲基氨基甲酸酯. With a topological polar surface area (TPSA) of 38.3 Ų, 3-溴苯基甲基氨基甲酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-溴苯基甲基氨基甲酸酯 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 3-溴苯基甲基氨基甲酸酯?
The CAS number of 3-溴苯基甲基氨基甲酸酯 is 13538-60-8.
What is the molecular formula of 3-溴苯基甲基氨基甲酸酯?
The molecular formula of 3-溴苯基甲基氨基甲酸酯 is C8H8BrNO2.
What is the molecular weight of 3-溴苯基甲基氨基甲酸酯?
The molecular weight of 3-溴苯基甲基氨基甲酸酯 is 228.97 g/mol.
Where can I buy 3-溴苯基甲基氨基甲酸酯?
You can request a quote for 3-溴苯基甲基氨基甲酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-溴苯基甲基氨基甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for 3-溴苯基甲基氨基甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.