![2-Cyano-3-(6-nitrobenzo[d][1,3]dioxol-5-yl)acrylamide structure](/static/products/1973/197310-95-5.webp)
2-Cyano-3-(6-nitrobenzo[d][1,3]dioxol-5-yl)acrylamide
TL;DR: 2-Cyano-3-(6-nitrobenzo[d][1,3]dioxol-5-yl)acrylamide (CAS 197310-95-5) is a chemical compound with molecular formula C11H7N3O5 and molecular weight 261.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide
Also Known As: 2-Cyano-3-(6-nitrobenzo[d][1,3]dioxol-5-yl)acrylamide, (E)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide
| Molecular Formula | C11H7N3O5 |
|---|---|
| Molecular Weight | 261.04 g/mol |
| LogP | 0.71578 |
| Topological Polar Surface Area | 128.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.03857 |
| Heavy Atoms | 19 |
| Complexity | 644.4661 |
Chemical Identifiers
| CAS Number | 197310-95-5 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C(=C2)/C=C(\C#N)/C(=O)N)[N+](=O)[O-] |
Product Overview
2-Cyano-3-(6-nitrobenzo[d][1,3]dioxol-5-yl)acrylamide (CAS 197310-95-5), with molecular formula C11H7N3O5 and molecular weight 261.04 g/mol. IUPAC: (E)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide.
Chemical Property Profile of 2-Cyano-3-(6-nitrobenzo[d][1,3]dioxol-5-yl)acrylamide
Property Insights of 2-Cyano-3-(6-nitrobenzo[d][1,3]dioxol-5-yl)acrylamide
The XLogP value of 0.71578 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyano-3-(6-nitrobenzo[d][1,3]dioxol-5-yl)acrylamide. The TPSA of 128.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Cyano-3-(6-nitrobenzo[d][1,3]dioxol-5-yl)acrylamide. Following Lipinski's Rule of Five, 2-Cyano-3-(6-nitrobenzo[d][1,3]dioxol-5-yl)acrylamide 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-3-(6-nitrobenzo[d][1,3]dioxol-5-yl)acrylamide?
The CAS number of 2-Cyano-3-(6-nitrobenzo[d][1,3]dioxol-5-yl)acrylamide is 197310-95-5.
What is the molecular formula of 2-Cyano-3-(6-nitrobenzo[d][1,3]dioxol-5-yl)acrylamide?
The molecular formula of 2-Cyano-3-(6-nitrobenzo[d][1,3]dioxol-5-yl)acrylamide is C11H7N3O5.
What is the molecular weight of 2-Cyano-3-(6-nitrobenzo[d][1,3]dioxol-5-yl)acrylamide?
The molecular weight of 2-Cyano-3-(6-nitrobenzo[d][1,3]dioxol-5-yl)acrylamide is 261.04 g/mol.
Where can I buy 2-Cyano-3-(6-nitrobenzo[d][1,3]dioxol-5-yl)acrylamide?
You can request a quote for 2-Cyano-3-(6-nitrobenzo[d][1,3]dioxol-5-yl)acrylamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyano-3-(6-nitrobenzo[d][1,3]dioxol-5-yl)acrylamide?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyano-3-(6-nitrobenzo[d][1,3]dioxol-5-yl)acrylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.