2-cyano-N-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
TL;DR: 2-cyano-N-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (CAS 554436-87-2) is a chemical compound with molecular formula C11H9N3O5 and molecular weight 263.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide
Also Known As: 2-cyano-N-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide, 2-Cyano-N-(7-nitro-2,3-dihydro-benzo[1,4]dioxin-6-yl)-acetamide, 2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide, 991-619-3, RefChem:470703
| Molecular Formula | C11H9N3O5 |
|---|---|
| Molecular Weight | 263.05 g/mol |
| LogP | 1.21818 |
| Topological Polar Surface Area | 114.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 263.05423 |
| Heavy Atoms | 19 |
| Complexity | 578.4288 |
Chemical Identifiers
| CAS Number | 554436-87-2 |
|---|---|
| SMILES | C1COC2=C(O1)C=C(C(=C2)[N+](=O)[O-])NC(=O)CC#N |
Product Overview
2-cyano-N-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (CAS 554436-87-2), with molecular formula C11H9N3O5 and molecular weight 263.05 g/mol. IUPAC: 2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide.
Chemical Property Profile of 2-cyano-N-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Property Insights of 2-cyano-N-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
The XLogP value of 1.21818 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-cyano-N-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide. The TPSA of 114.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-cyano-N-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide. Following Lipinski's Rule of Five, 2-cyano-N-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide has 1 hydrogen bond donor(s) and 6 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 2-cyano-N-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The CAS number of 2-cyano-N-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is 554436-87-2.
What is the molecular formula of 2-cyano-N-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The molecular formula of 2-cyano-N-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is C11H9N3O5.
What is the molecular weight of 2-cyano-N-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The molecular weight of 2-cyano-N-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is 263.05 g/mol.
Where can I buy 2-cyano-N-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
You can request a quote for 2-cyano-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 2-cyano-N-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-cyano-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.