4,5,6-Triethoxy-7-nitrophthalide
TL;DR: 4,5,6-Triethoxy-7-nitrophthalide (CAS 4995-54-4) is a chemical compound with molecular formula C14H17NO7 and molecular weight 311.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5,6-triethoxy-7-nitro-3H-2-benzofuran-1-one
Also Known As: 4,5,6-Triethoxy-7-nitrophthalide, EINECS 225-655-1, 7-nitro-4,5,6-triethoxyphthalide, 4,5,6-triethoxy-7-nitro-3H-2-benzofuran-1-one, 4,5,6-Triethoxy-7-nitro-3H-isobenzofuran-1-one
| Molecular Formula | C14H17NO7 |
|---|---|
| Molecular Weight | 311.10 g/mol |
| LogP | 2.4613 |
| Topological Polar Surface Area | 97.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 311.1005 |
| Heavy Atoms | 22 |
| Complexity | 611.9443 |
Chemical Identifiers
| CAS Number | 4995-54-4 |
|---|---|
| SMILES | CCOC1=C(C(=C(C2=C1COC2=O)[N+](=O)[O-])OCC)OCC |
Product Overview
4,5,6-Triethoxy-7-nitrophthalide (CAS 4995-54-4), with molecular formula C14H17NO7 and molecular weight 311.10 g/mol. IUPAC: 4,5,6-triethoxy-7-nitro-3H-2-benzofuran-1-one.
Chemical Property Profile of 4,5,6-Triethoxy-7-nitrophthalide
Property Insights of 4,5,6-Triethoxy-7-nitrophthalide
The XLogP value of 2.4613 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5,6-Triethoxy-7-nitrophthalide. The TPSA of 97.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5,6-Triethoxy-7-nitrophthalide. Following Lipinski's Rule of Five, 4,5,6-Triethoxy-7-nitrophthalide has 0 hydrogen bond donor(s) and 7 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 4,5,6-Triethoxy-7-nitrophthalide?
The CAS number of 4,5,6-Triethoxy-7-nitrophthalide is 4995-54-4.
What is the molecular formula of 4,5,6-Triethoxy-7-nitrophthalide?
The molecular formula of 4,5,6-Triethoxy-7-nitrophthalide is C14H17NO7.
What is the molecular weight of 4,5,6-Triethoxy-7-nitrophthalide?
The molecular weight of 4,5,6-Triethoxy-7-nitrophthalide is 311.10 g/mol.
Where can I buy 4,5,6-Triethoxy-7-nitrophthalide?
You can request a quote for 4,5,6-Triethoxy-7-nitrophthalide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5,6-Triethoxy-7-nitrophthalide?
Yes, KEHONG BIO provides custom synthesis services for 4,5,6-Triethoxy-7-nitrophthalide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.