Methyl (3-bromophenyl)carbamate
TL;DR: Methyl (3-bromophenyl)carbamate (CAS 25216-72-2) 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.
methyl N-(3-bromophenyl)carbamate
Also Known As: methyl (3-bromophenyl)carbamate, Methyl N-(3-bromophenyl)carbamate, Carbamic acid, (3-bromophenyl)-, methyl ester, methyl(3-bromophenyl)carbamate, (3-Bromo-phenyl)-carbamic acid methyl ester
| Molecular Formula | C8H8BrNO2 |
|---|---|
| Molecular Weight | 228.97 g/mol |
| LogP | 2.6274 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 228.97385 |
| Heavy Atoms | 12 |
| Complexity | 288.14127 |
Chemical Identifiers
| CAS Number | 25216-72-2 |
|---|---|
| SMILES | COC(=O)NC1=CC(=CC=C1)Br |
Product Overview
Methyl (3-bromophenyl)carbamate (CAS 25216-72-2), with molecular formula C8H8BrNO2 and molecular weight 228.97 g/mol. IUPAC: methyl N-(3-bromophenyl)carbamate.
Chemical Property Profile of Methyl (3-bromophenyl)carbamate
Property Insights of Methyl (3-bromophenyl)carbamate
The XLogP value of 2.6274 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (3-bromophenyl)carbamate. With a topological polar surface area (TPSA) of 38.33 Ų, Methyl (3-bromophenyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl (3-bromophenyl)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 (3-bromophenyl)carbamate?
The CAS number of Methyl (3-bromophenyl)carbamate is 25216-72-2.
What is the molecular formula of Methyl (3-bromophenyl)carbamate?
The molecular formula of Methyl (3-bromophenyl)carbamate is C8H8BrNO2.
What is the molecular weight of Methyl (3-bromophenyl)carbamate?
The molecular weight of Methyl (3-bromophenyl)carbamate is 228.97 g/mol.
Where can I buy Methyl (3-bromophenyl)carbamate?
You can request a quote for Methyl (3-bromophenyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (3-bromophenyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (3-bromophenyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.