4-Nitrophthalide
TL;DR: 4-Nitrophthalide (CAS 65399-18-0) 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.
4-nitro-3H-2-benzofuran-1-one
Also Known As: 4-NITROPHTHALIDE, 4-Nitroisobenzofuran-1(3H)-one, 4-nitro-3H-isobenzofuran-1-one, 4-nitro-3H-2-benzofuran-1-one, Lenalidomide Impurity 26
| Molecular Formula | C8H5NO4 |
|---|---|
| Molecular Weight | 179.02 g/mol |
| LogP | 1.2652 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 179.02185 |
| Heavy Atoms | 13 |
| Complexity | 399.13055 |
Chemical Identifiers
| CAS Number | 65399-18-0 |
|---|---|
| SMILES | C1C2=C(C=CC=C2[N+](=O)[O-])C(=O)O1 |
Product Overview
4-Nitrophthalide (CAS 65399-18-0), with molecular formula C8H5NO4 and molecular weight 179.02 g/mol. IUPAC: 4-nitro-3H-2-benzofuran-1-one.
Chemical Property Profile of 4-Nitrophthalide
Property Insights of 4-Nitrophthalide
The XLogP value of 1.2652 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitrophthalide. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrophthalide. Following Lipinski's Rule of Five, 4-Nitrophthalide 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 4-Nitrophthalide?
The CAS number of 4-Nitrophthalide is 65399-18-0.
What is the molecular formula of 4-Nitrophthalide?
The molecular formula of 4-Nitrophthalide is C8H5NO4.
What is the molecular weight of 4-Nitrophthalide?
The molecular weight of 4-Nitrophthalide is 179.02 g/mol.
Where can I buy 4-Nitrophthalide?
You can request a quote for 4-Nitrophthalide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrophthalide?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrophthalide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.