N-benzyl-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyanoprop-2-enamide
TL;DR: N-benzyl-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyanoprop-2-enamide (CAS 345971-50-8) is a chemical compound with molecular formula C18H15BrN2O3 and molecular weight 386.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-benzyl-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyanoprop-2-enamide
Also Known As: N-benzyl-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyanoprop-2-enamide, (E)-N-benzyl-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyanoprop-2-enamide
| Molecular Formula | C18H15BrN2O3 |
|---|---|
| Molecular Weight | 386.03 g/mol |
| LogP | 3.38668 |
| Topological Polar Surface Area | 82.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 386.0266 |
| Heavy Atoms | 24 |
| Complexity | 811.00385 |
Chemical Identifiers
| CAS Number | 345971-50-8 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)/C=C(\C#N)/C(=O)NCC2=CC=CC=C2)Br)O |
Product Overview
N-benzyl-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyanoprop-2-enamide (CAS 345971-50-8), with molecular formula C18H15BrN2O3 and molecular weight 386.03 g/mol. IUPAC: (E)-N-benzyl-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyanoprop-2-enamide.
Chemical Property Profile of N-benzyl-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyanoprop-2-enamide
Property Insights of N-benzyl-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyanoprop-2-enamide
The XLogP value of 3.38668 indicates that N-benzyl-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyanoprop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.35 Ų falls within the moderate polarity range, balancing permeability and solubility for N-benzyl-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyanoprop-2-enamide. Following Lipinski's Rule of Five, N-benzyl-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyanoprop-2-enamide has 2 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 N-benzyl-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyanoprop-2-enamide?
The CAS number of N-benzyl-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyanoprop-2-enamide is 345971-50-8.
What is the molecular formula of N-benzyl-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyanoprop-2-enamide?
The molecular formula of N-benzyl-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyanoprop-2-enamide is C18H15BrN2O3.
What is the molecular weight of N-benzyl-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyanoprop-2-enamide?
The molecular weight of N-benzyl-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyanoprop-2-enamide is 386.03 g/mol.
Where can I buy N-benzyl-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyanoprop-2-enamide?
You can request a quote for N-benzyl-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyanoprop-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-benzyl-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyanoprop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyanoprop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.