![(E)-2-cyano-3-[1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]pyrrol-2-yl]prop-2-enamide structure](/static/products/534/53413-70-0.png)
(E)-2-cyano-3-[1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]pyrrol-2-yl]prop-2-enamide
TL;DR: (E)-2-cyano-3-[1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]pyrrol-2-yl]prop-2-enamide (CAS 53413-70-0) is a chemical compound with molecular formula C16H12N4O5 and molecular weight 340.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-cyano-3-[1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]pyrrol-2-yl]prop-2-enamide
Also Known As: (E)-2-cyano-3-[1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]pyrrol-2-yl]prop-2-enamide, (2E)-2-Cyano-3-{1-[(6-nitro-2H-1,3-benzodioxol-5-yl)methyl]-1H-pyrrol-2-yl}prop-2-enamide
| Molecular Formula | C16H12N4O5 |
|---|---|
| Molecular Weight | 340.08 g/mol |
| LogP | 1.56558 |
| Topological Polar Surface Area | 133.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 340.08078 |
| Heavy Atoms | 25 |
| Complexity | 938.4871 |
Chemical Identifiers
| CAS Number | 53413-70-0 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C(=C2)CN3C=CC=C3/C=C(\C#N)/C(=O)N)[N+](=O)[O-] |
Product Overview
(E)-2-cyano-3-[1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]pyrrol-2-yl]prop-2-enamide (CAS 53413-70-0), with molecular formula C16H12N4O5 and molecular weight 340.08 g/mol. IUPAC: (E)-2-cyano-3-[1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]pyrrol-2-yl]prop-2-enamide.
Chemical Property Profile of (E)-2-cyano-3-[1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]pyrrol-2-yl]prop-2-enamide
Property Insights of (E)-2-cyano-3-[1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]pyrrol-2-yl]prop-2-enamide
The XLogP value of 1.56558 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-cyano-3-[1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]pyrrol-2-yl]prop-2-enamide. The TPSA of 133.41 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-cyano-3-[1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]pyrrol-2-yl]prop-2-enamide. Following Lipinski's Rule of Five, (E)-2-cyano-3-[1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]pyrrol-2-yl]prop-2-enamide 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 (E)-2-cyano-3-[1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]pyrrol-2-yl]prop-2-enamide?
The CAS number of (E)-2-cyano-3-[1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]pyrrol-2-yl]prop-2-enamide is 53413-70-0.
What is the molecular formula of (E)-2-cyano-3-[1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]pyrrol-2-yl]prop-2-enamide?
The molecular formula of (E)-2-cyano-3-[1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]pyrrol-2-yl]prop-2-enamide is C16H12N4O5.
What is the molecular weight of (E)-2-cyano-3-[1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]pyrrol-2-yl]prop-2-enamide?
The molecular weight of (E)-2-cyano-3-[1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]pyrrol-2-yl]prop-2-enamide is 340.08 g/mol.
Where can I buy (E)-2-cyano-3-[1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]pyrrol-2-yl]prop-2-enamide?
You can request a quote for (E)-2-cyano-3-[1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]pyrrol-2-yl]prop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-cyano-3-[1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]pyrrol-2-yl]prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-cyano-3-[1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]pyrrol-2-yl]prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.