3-(1-nitroethyl)-2-benzofuran-1(3H)-one
TL;DR: 3-(1-nitroethyl)-2-benzofuran-1(3H)-one (CAS 79017-08-6) is a chemical compound with molecular formula C10H9NO4 and molecular weight 207.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-nitroethyl)-3H-2-benzofuran-1-one
Also Known As: 3-(1-nitroethyl)-2-benzofuran-1(3H)-one, CucurbitacinD, 3-(1-Nitroethyl)isobenzofuran-1(3H)-one, nitroethylbenzofuranone, 3-(1-nitroethyl)-3H-2-benzofuran-1-one
| Molecular Formula | C10H9NO4 |
|---|---|
| Molecular Weight | 207.05 g/mol |
| LogP | 1.5633 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 207.05316 |
| Heavy Atoms | 15 |
| Complexity | 429.1855 |
Chemical Identifiers
| CAS Number | 79017-08-6 |
|---|---|
| SMILES | CC(C1C2=CC=CC=C2C(=O)O1)[N+](=O)[O-] |
Product Overview
3-(1-nitroethyl)-2-benzofuran-1(3H)-one (CAS 79017-08-6), with molecular formula C10H9NO4 and molecular weight 207.05 g/mol. IUPAC: 3-(1-nitroethyl)-3H-2-benzofuran-1-one.
Chemical Property Profile of 3-(1-nitroethyl)-2-benzofuran-1(3H)-one
Property Insights of 3-(1-nitroethyl)-2-benzofuran-1(3H)-one
The XLogP value of 1.5633 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1-nitroethyl)-2-benzofuran-1(3H)-one. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1-nitroethyl)-2-benzofuran-1(3H)-one. Following Lipinski's Rule of Five, 3-(1-nitroethyl)-2-benzofuran-1(3H)-one has 0 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-(1-nitroethyl)-2-benzofuran-1(3H)-one?
The CAS number of 3-(1-nitroethyl)-2-benzofuran-1(3H)-one is 79017-08-6.
What is the molecular formula of 3-(1-nitroethyl)-2-benzofuran-1(3H)-one?
The molecular formula of 3-(1-nitroethyl)-2-benzofuran-1(3H)-one is C10H9NO4.
What is the molecular weight of 3-(1-nitroethyl)-2-benzofuran-1(3H)-one?
The molecular weight of 3-(1-nitroethyl)-2-benzofuran-1(3H)-one is 207.05 g/mol.
Where can I buy 3-(1-nitroethyl)-2-benzofuran-1(3H)-one?
You can request a quote for 3-(1-nitroethyl)-2-benzofuran-1(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1-nitroethyl)-2-benzofuran-1(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(1-nitroethyl)-2-benzofuran-1(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.