N-(4-bromophenyl)-2-cyano-3-(furan-2-yl)prop-2-enamide
TL;DR: N-(4-bromophenyl)-2-cyano-3-(furan-2-yl)prop-2-enamide (CAS 5397-88-6) is a chemical compound with molecular formula C14H9BrN2O2 and molecular weight 315.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromophenyl)-2-cyano-3-(furan-2-yl)prop-2-enamide
Also Known As: ATDA, N-(4-bromophenyl)-2-cyano-3-(furan-2-yl)prop-2-enamide, (E)-N-(4-bromophenyl)-2-cyano-3-(furan-2-yl)prop-2-enamide
| Molecular Formula | C14H9BrN2O2 |
|---|---|
| Molecular Weight | 315.98 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 66.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.98474 |
| Heavy Atoms | 19 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 5397-88-6 |
|---|---|
| SMILES | C1=COC(=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)Br |
| InChIKey | WAFZFLUUMAGCOR-UHFFFAOYSA-N |
Product Overview
N-(4-bromophenyl)-2-cyano-3-(furan-2-yl)prop-2-enamide (CAS 5397-88-6), with molecular formula C14H9BrN2O2 and molecular weight 315.98 g/mol. IUPAC: N-(4-bromophenyl)-2-cyano-3-(furan-2-yl)prop-2-enamide.
Chemical Property Profile of N-(4-bromophenyl)-2-cyano-3-(furan-2-yl)prop-2-enamide
Property Insights of N-(4-bromophenyl)-2-cyano-3-(furan-2-yl)prop-2-enamide
The XLogP value of 3.9 indicates that N-(4-bromophenyl)-2-cyano-3-(furan-2-yl)prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-bromophenyl)-2-cyano-3-(furan-2-yl)prop-2-enamide. Following Lipinski's Rule of Five, N-(4-bromophenyl)-2-cyano-3-(furan-2-yl)prop-2-enamide has 1 hydrogen bond donor(s) and 3 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 N-(4-bromophenyl)-2-cyano-3-(furan-2-yl)prop-2-enamide?
The CAS number of N-(4-bromophenyl)-2-cyano-3-(furan-2-yl)prop-2-enamide is 5397-88-6.
What is the molecular formula of N-(4-bromophenyl)-2-cyano-3-(furan-2-yl)prop-2-enamide?
The molecular formula of N-(4-bromophenyl)-2-cyano-3-(furan-2-yl)prop-2-enamide is C14H9BrN2O2.
What is the molecular weight of N-(4-bromophenyl)-2-cyano-3-(furan-2-yl)prop-2-enamide?
The molecular weight of N-(4-bromophenyl)-2-cyano-3-(furan-2-yl)prop-2-enamide is 315.98 g/mol.
Where can I buy N-(4-bromophenyl)-2-cyano-3-(furan-2-yl)prop-2-enamide?
You can request a quote for N-(4-bromophenyl)-2-cyano-3-(furan-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 N-(4-bromophenyl)-2-cyano-3-(furan-2-yl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-bromophenyl)-2-cyano-3-(furan-2-yl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.