4-Bromophenyl methylcarbamate
TL;DR: 4-Bromophenyl methylcarbamate (CAS 13538-50-6) is a chemical compound with molecular formula C8H8BrNO2 and molecular weight 228.97385 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-bromophenyl) N-methylcarbamate
Also Known As: 4-Bromophenyl methylcarbamate, (4-bromophenyl) N-methylcarbamate, 4-Bromophenyl N-methylcarbamate, JDMQNOUMIJRQEX-UHFFFAOYSA-, Methylcarbamic acid 4-bromophenyl ester
Technical Specifications
| Molecular Formula | C8H8BrNO2 |
| Molecular Weight | 228.97385 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.97385 Da |
| Heavy Atoms | 12 |
| Complexity | 155.0 |
| SMILES | CNC(=O)OC1=CC=C(C=C1)Br |
| InChIKey | JDMQNOUMIJRQEX-UHFFFAOYSA-N |
Chemical Property Profile of 4-Bromophenyl methylcarbamate
Property Insights of 4-Bromophenyl methylcarbamate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromophenyl methylcarbamate. With a topological polar surface area (TPSA) of 38.3 Ų, 4-Bromophenyl methylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromophenyl 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
What is the CAS number of 4-Bromophenyl methylcarbamate?
The CAS number of 4-Bromophenyl methylcarbamate is 13538-50-6.
What is the molecular formula of 4-Bromophenyl methylcarbamate?
The molecular formula of 4-Bromophenyl methylcarbamate is C8H8BrNO2.
What is the molecular weight of 4-Bromophenyl methylcarbamate?
The molecular weight of 4-Bromophenyl methylcarbamate is 228.97385 g/mol.
Where can I buy 4-Bromophenyl methylcarbamate?
You can request a quote for 4-Bromophenyl methylcarbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Bromophenyl methylcarbamate?
Yes, CoreyChem provides custom synthesis services for 4-Bromophenyl methylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.