7-Nitro-2,3-dihydro-1,4-benzodioxine-6-carboxylic acid
TL;DR: 7-Nitro-2,3-dihydro-1,4-benzodioxine-6-carboxylic acid (CAS 57672-33-0) is a chemical compound with molecular formula C9H7NO6 and molecular weight 225.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid
Also Known As: 7-nitro-2,3-dihydro-1,4-benzodioxine-6-carboxylic acid, 7-Nitro-1,4-benzodioxane-6-carboxylic Acid, N-Benzoyl-L-phenylglycine, 7-Nitro-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxylic acid, 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid
| Molecular Formula | C9H7NO6 |
|---|---|
| Molecular Weight | 225.03 g/mol |
| LogP | 1.0642 |
| Topological Polar Surface Area | 98.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 225.02734 |
| Heavy Atoms | 16 |
| Complexity | 426.31216 |
Chemical Identifiers
| CAS Number | 57672-33-0 |
|---|---|
| SMILES | C1COC2=C(O1)C=C(C(=C2)[N+](=O)[O-])C(=O)O |
Product Overview
7-Nitro-2,3-dihydro-1,4-benzodioxine-6-carboxylic acid (CAS 57672-33-0), with molecular formula C9H7NO6 and molecular weight 225.03 g/mol. IUPAC: 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid.
Chemical Property Profile of 7-Nitro-2,3-dihydro-1,4-benzodioxine-6-carboxylic acid
Property Insights of 7-Nitro-2,3-dihydro-1,4-benzodioxine-6-carboxylic acid
The XLogP value of 1.0642 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Nitro-2,3-dihydro-1,4-benzodioxine-6-carboxylic acid. The TPSA of 98.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Nitro-2,3-dihydro-1,4-benzodioxine-6-carboxylic acid. Following Lipinski's Rule of Five, 7-Nitro-2,3-dihydro-1,4-benzodioxine-6-carboxylic acid has 1 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 7-Nitro-2,3-dihydro-1,4-benzodioxine-6-carboxylic acid?
The CAS number of 7-Nitro-2,3-dihydro-1,4-benzodioxine-6-carboxylic acid is 57672-33-0.
What is the molecular formula of 7-Nitro-2,3-dihydro-1,4-benzodioxine-6-carboxylic acid?
The molecular formula of 7-Nitro-2,3-dihydro-1,4-benzodioxine-6-carboxylic acid is C9H7NO6.
What is the molecular weight of 7-Nitro-2,3-dihydro-1,4-benzodioxine-6-carboxylic acid?
The molecular weight of 7-Nitro-2,3-dihydro-1,4-benzodioxine-6-carboxylic acid is 225.03 g/mol.
Where can I buy 7-Nitro-2,3-dihydro-1,4-benzodioxine-6-carboxylic acid?
You can request a quote for 7-Nitro-2,3-dihydro-1,4-benzodioxine-6-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Nitro-2,3-dihydro-1,4-benzodioxine-6-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 7-Nitro-2,3-dihydro-1,4-benzodioxine-6-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.