3-(6-Bromo-1,3-benzodioxol-5-yl)-2-cyanoacrylamide
TL;DR: 3-(6-Bromo-1,3-benzodioxol-5-yl)-2-cyanoacrylamide (CAS 5330-28-9) is a chemical compound with molecular formula C11H7BrN2O3 and molecular weight 293.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyanoprop-2-enamide
Also Known As: 3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyanoacrylamide, (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyanoprop-2-enamide
| Molecular Formula | C11H7BrN2O3 |
|---|---|
| Molecular Weight | 293.96 g/mol |
| LogP | 1.57008 |
| Topological Polar Surface Area | 85.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 293.964 |
| Heavy Atoms | 17 |
| Complexity | 560.5704 |
Chemical Identifiers
| CAS Number | 5330-28-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C(=C2)/C=C(\C#N)/C(=O)N)Br |
Product Overview
3-(6-Bromo-1,3-benzodioxol-5-yl)-2-cyanoacrylamide (CAS 5330-28-9), with molecular formula C11H7BrN2O3 and molecular weight 293.96 g/mol. IUPAC: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyanoprop-2-enamide.
Chemical Property Profile of 3-(6-Bromo-1,3-benzodioxol-5-yl)-2-cyanoacrylamide
Property Insights of 3-(6-Bromo-1,3-benzodioxol-5-yl)-2-cyanoacrylamide
The XLogP value of 1.57008 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(6-Bromo-1,3-benzodioxol-5-yl)-2-cyanoacrylamide. The TPSA of 85.34 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(6-Bromo-1,3-benzodioxol-5-yl)-2-cyanoacrylamide. Following Lipinski's Rule of Five, 3-(6-Bromo-1,3-benzodioxol-5-yl)-2-cyanoacrylamide has 1 hydrogen bond donor(s) and 4 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 3-(6-Bromo-1,3-benzodioxol-5-yl)-2-cyanoacrylamide?
The CAS number of 3-(6-Bromo-1,3-benzodioxol-5-yl)-2-cyanoacrylamide is 5330-28-9.
What is the molecular formula of 3-(6-Bromo-1,3-benzodioxol-5-yl)-2-cyanoacrylamide?
The molecular formula of 3-(6-Bromo-1,3-benzodioxol-5-yl)-2-cyanoacrylamide is C11H7BrN2O3.
What is the molecular weight of 3-(6-Bromo-1,3-benzodioxol-5-yl)-2-cyanoacrylamide?
The molecular weight of 3-(6-Bromo-1,3-benzodioxol-5-yl)-2-cyanoacrylamide is 293.96 g/mol.
Where can I buy 3-(6-Bromo-1,3-benzodioxol-5-yl)-2-cyanoacrylamide?
You can request a quote for 3-(6-Bromo-1,3-benzodioxol-5-yl)-2-cyanoacrylamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(6-Bromo-1,3-benzodioxol-5-yl)-2-cyanoacrylamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(6-Bromo-1,3-benzodioxol-5-yl)-2-cyanoacrylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.