![2-[(E)-Benzo[1,3]dioxol-5-yliminomethyl]-4-bromo-6-nitro-phenol structure](/static/products/370/370849-90-4.png)
2-[(E)-Benzo[1,3]dioxol-5-yliminomethyl]-4-bromo-6-nitro-phenol
TL;DR: 2-[(E)-Benzo[1,3]dioxol-5-yliminomethyl]-4-bromo-6-nitro-phenol (CAS 370849-90-4) is a chemical compound with molecular formula C14H9BrN2O5 and molecular weight 363.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-yliminomethyl)-4-bromo-6-nitrophenol
Also Known As: 2-[(E)-Benzo[1,3]dioxol-5-yliminomethyl]-4-bromo-6-nitro-phenol, (E)-2-((benzo[d][1,3]dioxol-5-ylimino)methyl)-4-bromo-6-nitrophenol, (6E)-6-[(1,3-benzodioxol-5-ylamino)methylidene]-4-bromo-2-nitrocyclohexa-2,4-dien-1-one, 6-[(1,3-benzodioxol-5-ylamino)methylidene]-4-bromo-2-nitrocyclohexa-2,4-dien-1-one, 6-[(benzo[1,3]dioxol-5-ylamino)methylidene]-4-bromo-2-nitro-cyclohexa-2,4-dien-1-one
| Molecular Formula | C14H9BrN2O5 |
|---|---|
| Molecular Weight | 363.97 g/mol |
| LogP | 3.5422 |
| Topological Polar Surface Area | 94.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 363.96948 |
| Heavy Atoms | 22 |
| Complexity | 791.0429 |
Chemical Identifiers
| CAS Number | 370849-90-4 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)N=CC3=C(C(=CC(=C3)Br)[N+](=O)[O-])O |
Product Overview
2-[(E)-Benzo[1,3]dioxol-5-yliminomethyl]-4-bromo-6-nitro-phenol (CAS 370849-90-4), with molecular formula C14H9BrN2O5 and molecular weight 363.97 g/mol. IUPAC: 2-(1,3-benzodioxol-5-yliminomethyl)-4-bromo-6-nitrophenol.
Chemical Property Profile of 2-[(E)-Benzo[1,3]dioxol-5-yliminomethyl]-4-bromo-6-nitro-phenol
Property Insights of 2-[(E)-Benzo[1,3]dioxol-5-yliminomethyl]-4-bromo-6-nitro-phenol
The XLogP value of 3.5422 indicates that 2-[(E)-Benzo[1,3]dioxol-5-yliminomethyl]-4-bromo-6-nitro-phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(E)-Benzo[1,3]dioxol-5-yliminomethyl]-4-bromo-6-nitro-phenol. Following Lipinski's Rule of Five, 2-[(E)-Benzo[1,3]dioxol-5-yliminomethyl]-4-bromo-6-nitro-phenol 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 2-[(E)-Benzo[1,3]dioxol-5-yliminomethyl]-4-bromo-6-nitro-phenol?
The CAS number of 2-[(E)-Benzo[1,3]dioxol-5-yliminomethyl]-4-bromo-6-nitro-phenol is 370849-90-4.
What is the molecular formula of 2-[(E)-Benzo[1,3]dioxol-5-yliminomethyl]-4-bromo-6-nitro-phenol?
The molecular formula of 2-[(E)-Benzo[1,3]dioxol-5-yliminomethyl]-4-bromo-6-nitro-phenol is C14H9BrN2O5.
What is the molecular weight of 2-[(E)-Benzo[1,3]dioxol-5-yliminomethyl]-4-bromo-6-nitro-phenol?
The molecular weight of 2-[(E)-Benzo[1,3]dioxol-5-yliminomethyl]-4-bromo-6-nitro-phenol is 363.97 g/mol.
Where can I buy 2-[(E)-Benzo[1,3]dioxol-5-yliminomethyl]-4-bromo-6-nitro-phenol?
You can request a quote for 2-[(E)-Benzo[1,3]dioxol-5-yliminomethyl]-4-bromo-6-nitro-phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(E)-Benzo[1,3]dioxol-5-yliminomethyl]-4-bromo-6-nitro-phenol?
Yes, KEHONG BIO provides custom synthesis services for 2-[(E)-Benzo[1,3]dioxol-5-yliminomethyl]-4-bromo-6-nitro-phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.