2,3-Benzofurandione 2-monooxime
TL;DR: 2,3-Benzofurandione 2-monooxime (CAS 40701-27-7) is a chemical compound with molecular formula C8H5NO3 and molecular weight 163.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitroso-1-benzofuran-3-ol
Also Known As: 2,3-Benzofurandione 2-monooxime, 2,3-Benzofurandione, 2-oxime, benzofuran-2,3-dione2-oxime, 2,3-Benzofurandione 2-oxime, benzofuran-2,3-dione 2-oxime
| Molecular Formula | C8H5NO3 |
|---|---|
| Molecular Weight | 163.03 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 163.02695 |
| Heavy Atoms | 12 |
| Complexity | 185.0 |
Chemical Identifiers
| CAS Number | 40701-27-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(O2)N=O)O |
| InChIKey | PGFYEMBBHSJRNM-UHFFFAOYSA-N |
Product Overview
2,3-Benzofurandione 2-monooxime (CAS 40701-27-7), with molecular formula C8H5NO3 and molecular weight 163.03 g/mol. IUPAC: 2-nitroso-1-benzofuran-3-ol.
Chemical Property Profile of 2,3-Benzofurandione 2-monooxime
Property Insights of 2,3-Benzofurandione 2-monooxime
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Benzofurandione 2-monooxime. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-Benzofurandione 2-monooxime. Following Lipinski's Rule of Five, 2,3-Benzofurandione 2-monooxime 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 2,3-Benzofurandione 2-monooxime?
The CAS number of 2,3-Benzofurandione 2-monooxime is 40701-27-7.
What is the molecular formula of 2,3-Benzofurandione 2-monooxime?
The molecular formula of 2,3-Benzofurandione 2-monooxime is C8H5NO3.
What is the molecular weight of 2,3-Benzofurandione 2-monooxime?
The molecular weight of 2,3-Benzofurandione 2-monooxime is 163.03 g/mol.
Where can I buy 2,3-Benzofurandione 2-monooxime?
You can request a quote for 2,3-Benzofurandione 2-monooxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Benzofurandione 2-monooxime?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Benzofurandione 2-monooxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.