N-(7-Nitro-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
TL;DR: N-(7-Nitro-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (CAS 63546-22-5) is a chemical compound with molecular formula C10H10N2O5 and molecular weight 238.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide
Also Known As: N-(7-Nitro-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide, ChemDiv1_019349, BAS 00456854, 6-Acetamido-7-nitro-1,4-benzodioxane, N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide
| Molecular Formula | C10H10N2O5 |
|---|---|
| Molecular Weight | 238.06 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 93.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 238.05898 |
| Heavy Atoms | 17 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 63546-22-5 |
|---|---|
| SMILES | CC(=O)NC1=CC2=C(C=C1[N+](=O)[O-])OCCO2 |
| InChIKey | QGKTYGXOBZLUPZ-UHFFFAOYSA-N |
Product Overview
N-(7-Nitro-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (CAS 63546-22-5), with molecular formula C10H10N2O5 and molecular weight 238.06 g/mol. IUPAC: N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide.
Chemical Property Profile of N-(7-Nitro-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Property Insights of N-(7-Nitro-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(7-Nitro-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide. The TPSA of 93.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(7-Nitro-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide. Following Lipinski's Rule of Five, N-(7-Nitro-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide 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 N-(7-Nitro-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The CAS number of N-(7-Nitro-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is 63546-22-5.
What is the molecular formula of N-(7-Nitro-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The molecular formula of N-(7-Nitro-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is C10H10N2O5.
What is the molecular weight of N-(7-Nitro-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The molecular weight of N-(7-Nitro-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is 238.06 g/mol.
Where can I buy N-(7-Nitro-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
You can request a quote for N-(7-Nitro-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(7-Nitro-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(7-Nitro-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.