3-(5-bromo-2-fluorophenyl)-2-cyano-N-(propan-2-yl)prop-2-enamide
TL;DR: 3-(5-bromo-2-fluorophenyl)-2-cyano-N-(propan-2-yl)prop-2-enamide (CAS 868232-01-3) is a chemical compound with molecular formula C13H12BrFN2O and molecular weight 310.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(5-bromo-2-fluorophenyl)-2-cyano-N-propan-2-ylprop-2-enamide
Also Known As: 3-(5-bromo-2-fluorophenyl)-2-cyano-N-(propan-2-yl)prop-2-enamide, (E)-3-(5-bromo-2-fluorophenyl)-2-cyano-N-propan-2-ylprop-2-enamide
| Molecular Formula | C13H12BrFN2O |
|---|---|
| Molecular Weight | 310.01 g/mol |
| LogP | 3.01978 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 310.0117 |
| Heavy Atoms | 18 |
| Complexity | 532.283 |
Chemical Identifiers
| CAS Number | 868232-01-3 |
|---|---|
| SMILES | CC(C)NC(=O)/C(=C/C1=C(C=CC(=C1)Br)F)/C#N |
Product Overview
3-(5-bromo-2-fluorophenyl)-2-cyano-N-(propan-2-yl)prop-2-enamide (CAS 868232-01-3), with molecular formula C13H12BrFN2O and molecular weight 310.01 g/mol. IUPAC: (E)-3-(5-bromo-2-fluorophenyl)-2-cyano-N-propan-2-ylprop-2-enamide.
Chemical Property Profile of 3-(5-bromo-2-fluorophenyl)-2-cyano-N-(propan-2-yl)prop-2-enamide
Property Insights of 3-(5-bromo-2-fluorophenyl)-2-cyano-N-(propan-2-yl)prop-2-enamide
The XLogP value of 3.01978 indicates that 3-(5-bromo-2-fluorophenyl)-2-cyano-N-(propan-2-yl)prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.89 Ų, 3-(5-bromo-2-fluorophenyl)-2-cyano-N-(propan-2-yl)prop-2-enamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(5-bromo-2-fluorophenyl)-2-cyano-N-(propan-2-yl)prop-2-enamide has 1 hydrogen bond donor(s) and 2 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-(5-bromo-2-fluorophenyl)-2-cyano-N-(propan-2-yl)prop-2-enamide?
The CAS number of 3-(5-bromo-2-fluorophenyl)-2-cyano-N-(propan-2-yl)prop-2-enamide is 868232-01-3.
What is the molecular formula of 3-(5-bromo-2-fluorophenyl)-2-cyano-N-(propan-2-yl)prop-2-enamide?
The molecular formula of 3-(5-bromo-2-fluorophenyl)-2-cyano-N-(propan-2-yl)prop-2-enamide is C13H12BrFN2O.
What is the molecular weight of 3-(5-bromo-2-fluorophenyl)-2-cyano-N-(propan-2-yl)prop-2-enamide?
The molecular weight of 3-(5-bromo-2-fluorophenyl)-2-cyano-N-(propan-2-yl)prop-2-enamide is 310.01 g/mol.
Where can I buy 3-(5-bromo-2-fluorophenyl)-2-cyano-N-(propan-2-yl)prop-2-enamide?
You can request a quote for 3-(5-bromo-2-fluorophenyl)-2-cyano-N-(propan-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 3-(5-bromo-2-fluorophenyl)-2-cyano-N-(propan-2-yl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-bromo-2-fluorophenyl)-2-cyano-N-(propan-2-yl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.