![3-Nitrobenzo[b]furan-5-ol structure](/static/products/1263/126318-27-2.webp)
3-Nitrobenzo[b]furan-5-ol
TL;DR: 3-Nitrobenzo[b]furan-5-ol (CAS 126318-27-2) is a chemical compound with molecular formula C8H5NO4 and molecular weight 179.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitro-1-benzofuran-5-ol
Also Known As: 3-nitrobenzo[b]furan-5-ol, 3-Nitrobenzofuran-5-ol, 3-nitro-1-benzofuran-5-ol, 5-Benzofuranol,3-nitro-, 3-nitro-5-benzofuranol
| Molecular Formula | C8H5NO4 |
|---|---|
| Molecular Weight | 179.02 g/mol |
| LogP | 2.0466 |
| Topological Polar Surface Area | 76.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 179.02185 |
| Heavy Atoms | 13 |
| Complexity | 473.9488 |
Chemical Identifiers
| CAS Number | 126318-27-2 |
|---|---|
| SMILES | C1=CC2=C(C=C1O)C(=CO2)[N+](=O)[O-] |
Product Overview
3-Nitrobenzo[b]furan-5-ol (CAS 126318-27-2), with molecular formula C8H5NO4 and molecular weight 179.02 g/mol. IUPAC: 3-nitro-1-benzofuran-5-ol.
Chemical Property Profile of 3-Nitrobenzo[b]furan-5-ol
Property Insights of 3-Nitrobenzo[b]furan-5-ol
The XLogP value of 2.0466 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Nitrobenzo[b]furan-5-ol. The TPSA of 76.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitrobenzo[b]furan-5-ol. Following Lipinski's Rule of Five, 3-Nitrobenzo[b]furan-5-ol 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 3-Nitrobenzo[b]furan-5-ol?
The CAS number of 3-Nitrobenzo[b]furan-5-ol is 126318-27-2.
What is the molecular formula of 3-Nitrobenzo[b]furan-5-ol?
The molecular formula of 3-Nitrobenzo[b]furan-5-ol is C8H5NO4.
What is the molecular weight of 3-Nitrobenzo[b]furan-5-ol?
The molecular weight of 3-Nitrobenzo[b]furan-5-ol is 179.02 g/mol.
Where can I buy 3-Nitrobenzo[b]furan-5-ol?
You can request a quote for 3-Nitrobenzo[b]furan-5-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitrobenzo[b]furan-5-ol?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitrobenzo[b]furan-5-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.