3-(4-Nitrophenacyl)Phthalide
TL;DR: 3-(4-Nitrophenacyl)Phthalide (CAS 69322-20-9) is a chemical compound with molecular formula C16H11NO5 and molecular weight 297.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(4-nitrophenyl)-2-oxoethyl]-3H-2-benzofuran-1-one
Also Known As: 3-(4-Nitrophenacyl)Phthalide, 3-[2-(4-nitrophenyl)-2-oxoethyl]-3H-2-benzofuran-1-one, J2.156.330G, 3-(4-Nitrophenacyl)-1,3-dihydroisobenzofuran-1-one, 3-[2-(4-Nitrophenyl)-2-oxoethyl]isobenzofuran-1(3H)-one
| Molecular Formula | C16H11NO5 |
|---|---|
| Molecular Weight | 297.06 g/mol |
| LogP | 3.0793 |
| Topological Polar Surface Area | 86.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 297.06372 |
| Heavy Atoms | 22 |
| Complexity | 766.36053 |
Chemical Identifiers
| CAS Number | 69322-20-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(OC2=O)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
3-(4-Nitrophenacyl)Phthalide (CAS 69322-20-9), with molecular formula C16H11NO5 and molecular weight 297.06 g/mol. IUPAC: 3-[2-(4-nitrophenyl)-2-oxoethyl]-3H-2-benzofuran-1-one.
Chemical Property Profile of 3-(4-Nitrophenacyl)Phthalide
Property Insights of 3-(4-Nitrophenacyl)Phthalide
The XLogP value of 3.0793 indicates that 3-(4-Nitrophenacyl)Phthalide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Nitrophenacyl)Phthalide. Following Lipinski's Rule of Five, 3-(4-Nitrophenacyl)Phthalide has 0 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-(4-Nitrophenacyl)Phthalide?
The CAS number of 3-(4-Nitrophenacyl)Phthalide is 69322-20-9.
What is the molecular formula of 3-(4-Nitrophenacyl)Phthalide?
The molecular formula of 3-(4-Nitrophenacyl)Phthalide is C16H11NO5.
What is the molecular weight of 3-(4-Nitrophenacyl)Phthalide?
The molecular weight of 3-(4-Nitrophenacyl)Phthalide is 297.06 g/mol.
Where can I buy 3-(4-Nitrophenacyl)Phthalide?
You can request a quote for 3-(4-Nitrophenacyl)Phthalide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Nitrophenacyl)Phthalide?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Nitrophenacyl)Phthalide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.