Methyl 2-bromo-3,5-bisnitrophenylcarbamate
TL;DR: Methyl 2-bromo-3,5-bisnitrophenylcarbamate (CAS 62941-10-0) is a chemical compound with molecular formula C8H6BrN3O6 and molecular weight 318.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-(2-bromo-3,5-dinitrophenyl)carbamate
Also Known As: Probes1_000226, Probes2_000268, methyl 2-bromo-3,5-bisnitrophenylcarbamate, methyl N-(2-bromo-3,5-dinitrophenyl)carbamate, methyl (2-bromo-3,5-dinitrophenyl)carbamate
| Molecular Formula | C8H6BrN3O6 |
|---|---|
| Molecular Weight | 318.94 g/mol |
| LogP | 2.4438 |
| Topological Polar Surface Area | 124.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 318.944 |
| Heavy Atoms | 18 |
| Complexity | 531.8087 |
Chemical Identifiers
| CAS Number | 62941-10-0 |
|---|---|
| SMILES | COC(=O)NC1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])Br |
Product Overview
Methyl 2-bromo-3,5-bisnitrophenylcarbamate (CAS 62941-10-0), with molecular formula C8H6BrN3O6 and molecular weight 318.94 g/mol. IUPAC: methyl N-(2-bromo-3,5-dinitrophenyl)carbamate.
Chemical Property Profile of Methyl 2-bromo-3,5-bisnitrophenylcarbamate
Property Insights of Methyl 2-bromo-3,5-bisnitrophenylcarbamate
The XLogP value of 2.4438 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-bromo-3,5-bisnitrophenylcarbamate. The TPSA of 124.61 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-bromo-3,5-bisnitrophenylcarbamate. Following Lipinski's Rule of Five, Methyl 2-bromo-3,5-bisnitrophenylcarbamate has 1 hydrogen bond donor(s) and 6 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 2-bromo-3,5-bisnitrophenylcarbamate?
The CAS number of Methyl 2-bromo-3,5-bisnitrophenylcarbamate is 62941-10-0.
What is the molecular formula of Methyl 2-bromo-3,5-bisnitrophenylcarbamate?
The molecular formula of Methyl 2-bromo-3,5-bisnitrophenylcarbamate is C8H6BrN3O6.
What is the molecular weight of Methyl 2-bromo-3,5-bisnitrophenylcarbamate?
The molecular weight of Methyl 2-bromo-3,5-bisnitrophenylcarbamate is 318.94 g/mol.
Where can I buy Methyl 2-bromo-3,5-bisnitrophenylcarbamate?
You can request a quote for Methyl 2-bromo-3,5-bisnitrophenylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-bromo-3,5-bisnitrophenylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-bromo-3,5-bisnitrophenylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.