(5,7-Dibromo-1-benzofuran-2-yl)(2-nitrophenyl)methanol
TL;DR: (5,7-Dibromo-1-benzofuran-2-yl)(2-nitrophenyl)methanol (CAS 117238-56-9) is a chemical compound with molecular formula C15H9Br2NO4 and molecular weight 424.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5,7-dibromo-1-benzofuran-2-yl)-(2-nitrophenyl)methanol
Also Known As: 5,7-Dibromo-alpha-(2-nitrophenyl)-2-benzofuranmethanol, 2-Benzofuranmethanol, 5,7-dibromo-alpha-(2-nitrophenyl)-, (5,7-Dibromo-1-benzofuran-2-yl)(2-nitrophenyl)methanol, (5,7-dibromo-1-benzofuran-2-yl)-(2-nitrophenyl)methanol, RefChem:1050544
| Molecular Formula | C15H9Br2NO4 |
|---|---|
| Molecular Weight | 424.89 g/mol |
| LogP | 4.9477 |
| Topological Polar Surface Area | 76.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 424.88983 |
| Heavy Atoms | 22 |
| Complexity | 875.105 |
Chemical Identifiers
| CAS Number | 117238-56-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(C2=CC3=CC(=CC(=C3O2)Br)Br)O)[N+](=O)[O-] |
Product Overview
(5,7-Dibromo-1-benzofuran-2-yl)(2-nitrophenyl)methanol (CAS 117238-56-9), with molecular formula C15H9Br2NO4 and molecular weight 424.89 g/mol. IUPAC: (5,7-dibromo-1-benzofuran-2-yl)-(2-nitrophenyl)methanol.
Chemical Property Profile of (5,7-Dibromo-1-benzofuran-2-yl)(2-nitrophenyl)methanol
Property Insights of (5,7-Dibromo-1-benzofuran-2-yl)(2-nitrophenyl)methanol
The XLogP value of 4.9477 indicates that (5,7-Dibromo-1-benzofuran-2-yl)(2-nitrophenyl)methanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.51 Ų falls within the moderate polarity range, balancing permeability and solubility for (5,7-Dibromo-1-benzofuran-2-yl)(2-nitrophenyl)methanol. Following Lipinski's Rule of Five, (5,7-Dibromo-1-benzofuran-2-yl)(2-nitrophenyl)methanol has 1 hydrogen bond donor(s) and 4 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 (5,7-Dibromo-1-benzofuran-2-yl)(2-nitrophenyl)methanol?
The CAS number of (5,7-Dibromo-1-benzofuran-2-yl)(2-nitrophenyl)methanol is 117238-56-9.
What is the molecular formula of (5,7-Dibromo-1-benzofuran-2-yl)(2-nitrophenyl)methanol?
The molecular formula of (5,7-Dibromo-1-benzofuran-2-yl)(2-nitrophenyl)methanol is C15H9Br2NO4.
What is the molecular weight of (5,7-Dibromo-1-benzofuran-2-yl)(2-nitrophenyl)methanol?
The molecular weight of (5,7-Dibromo-1-benzofuran-2-yl)(2-nitrophenyl)methanol is 424.89 g/mol.
Where can I buy (5,7-Dibromo-1-benzofuran-2-yl)(2-nitrophenyl)methanol?
You can request a quote for (5,7-Dibromo-1-benzofuran-2-yl)(2-nitrophenyl)methanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5,7-Dibromo-1-benzofuran-2-yl)(2-nitrophenyl)methanol?
Yes, KEHONG BIO provides custom synthesis services for (5,7-Dibromo-1-benzofuran-2-yl)(2-nitrophenyl)methanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.