3-Hydroxy-5-nitro-1-benzofuran-2-carbaldehyde
TL;DR: 3-Hydroxy-5-nitro-1-benzofuran-2-carbaldehyde (CAS 499985-22-7) is a chemical compound with molecular formula C9H5NO5 and molecular weight 207.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-5-nitro-1-benzofuran-2-carbaldehyde
Also Known As: 3-hydroxy-5-nitro-1-benzofuran-2-carbaldehyde, 3-Hydroxy-5-nitrobenzofuran-2-carbaldehyde, 3-hydroxy-5-nitro-2-benzofurancarboxaldehyde, 3-hydroxy-5-nitrobenzo[b]furan-2-carbaldehyde, 2-(hydroxymethylidene)-5-nitro-1-benzofuran-3-one
| Molecular Formula | C9H5NO5 |
|---|---|
| Molecular Weight | 207.02 g/mol |
| LogP | 1.8591 |
| Topological Polar Surface Area | 93.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 207.01677 |
| Heavy Atoms | 15 |
| Complexity | 556.8732 |
Chemical Identifiers
| CAS Number | 499985-22-7 |
|---|---|
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])C(=C(O2)C=O)O |
Product Overview
3-Hydroxy-5-nitro-1-benzofuran-2-carbaldehyde (CAS 499985-22-7), with molecular formula C9H5NO5 and molecular weight 207.02 g/mol. IUPAC: 3-hydroxy-5-nitro-1-benzofuran-2-carbaldehyde.
Chemical Property Profile of 3-Hydroxy-5-nitro-1-benzofuran-2-carbaldehyde
Property Insights of 3-Hydroxy-5-nitro-1-benzofuran-2-carbaldehyde
The XLogP value of 1.8591 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxy-5-nitro-1-benzofuran-2-carbaldehyde. The TPSA of 93.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Hydroxy-5-nitro-1-benzofuran-2-carbaldehyde. Following Lipinski's Rule of Five, 3-Hydroxy-5-nitro-1-benzofuran-2-carbaldehyde has 1 hydrogen bond donor(s) and 5 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 3-Hydroxy-5-nitro-1-benzofuran-2-carbaldehyde?
The CAS number of 3-Hydroxy-5-nitro-1-benzofuran-2-carbaldehyde is 499985-22-7.
What is the molecular formula of 3-Hydroxy-5-nitro-1-benzofuran-2-carbaldehyde?
The molecular formula of 3-Hydroxy-5-nitro-1-benzofuran-2-carbaldehyde is C9H5NO5.
What is the molecular weight of 3-Hydroxy-5-nitro-1-benzofuran-2-carbaldehyde?
The molecular weight of 3-Hydroxy-5-nitro-1-benzofuran-2-carbaldehyde is 207.02 g/mol.
Where can I buy 3-Hydroxy-5-nitro-1-benzofuran-2-carbaldehyde?
You can request a quote for 3-Hydroxy-5-nitro-1-benzofuran-2-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-5-nitro-1-benzofuran-2-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-5-nitro-1-benzofuran-2-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.