3-Bromocinnamamide
TL;DR: 3-Bromocinnamamide (CAS 59114-96-4) is a chemical compound with molecular formula C9H8BrNO and molecular weight 224.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(3-bromophenyl)prop-2-enamide
Also Known As: 3-(3-Bromophenyl)acrylamide, 3-Bromocinnamamide, 3-Bromobenzeneacrylamide, (E)-3-(3-Bromophenyl)prop-2-enamide, 3-(3-Bromophenyl)-2-propenamide
| Molecular Formula | C9H8BrNO |
|---|---|
| Molecular Weight | 224.98 g/mol |
| LogP | 1.9476 |
| Topological Polar Surface Area | 43.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 224.97893 |
| Heavy Atoms | 12 |
| Complexity | 320.0595 |
Chemical Identifiers
| CAS Number | 59114-96-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Br)/C=C/C(=O)N |
Product Overview
3-Bromocinnamamide (CAS 59114-96-4), with molecular formula C9H8BrNO and molecular weight 224.98 g/mol. IUPAC: (E)-3-(3-bromophenyl)prop-2-enamide.
Chemical Property Profile of 3-Bromocinnamamide
Property Insights of 3-Bromocinnamamide
The XLogP value of 1.9476 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromocinnamamide. With a topological polar surface area (TPSA) of 43.09 Ų, 3-Bromocinnamamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromocinnamamide has 1 hydrogen bond donor(s) and 1 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-Bromocinnamamide?
The CAS number of 3-Bromocinnamamide is 59114-96-4.
What is the molecular formula of 3-Bromocinnamamide?
The molecular formula of 3-Bromocinnamamide is C9H8BrNO.
What is the molecular weight of 3-Bromocinnamamide?
The molecular weight of 3-Bromocinnamamide is 224.98 g/mol.
Where can I buy 3-Bromocinnamamide?
You can request a quote for 3-Bromocinnamamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromocinnamamide?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromocinnamamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.