![N-[(4-chlorophenyl)methyl]-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamide structure](/static/products/2111/211178-69-7.webp)
N-[(4-chlorophenyl)methyl]-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamide
TL;DR: N-[(4-chlorophenyl)methyl]-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamide (CAS 211178-69-7) is a chemical compound with molecular formula C17H13ClN2O3 and molecular weight 328.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[(4-chlorophenyl)methyl]-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamide
Also Known As: N-[(4-chlorophenyl)methyl]-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamide, (E)-N-[(4-chlorophenyl)methyl]-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamide
| Molecular Formula | C17H13ClN2O3 |
|---|---|
| Molecular Weight | 328.06 g/mol |
| LogP | 2.97458 |
| Topological Polar Surface Area | 93.35 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 328.06146 |
| Heavy Atoms | 23 |
| Complexity | 792.4761 |
Chemical Identifiers
| CAS Number | 211178-69-7 |
|---|---|
| SMILES | C1=CC(=CC=C1CNC(=O)/C(=C/C2=CC(=C(C=C2)O)O)/C#N)Cl |
Product Overview
N-[(4-chlorophenyl)methyl]-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamide (CAS 211178-69-7), with molecular formula C17H13ClN2O3 and molecular weight 328.06 g/mol. IUPAC: (E)-N-[(4-chlorophenyl)methyl]-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamide.
Chemical Property Profile of N-[(4-chlorophenyl)methyl]-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamide
Property Insights of N-[(4-chlorophenyl)methyl]-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamide
The XLogP value of 2.97458 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(4-chlorophenyl)methyl]-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamide. The TPSA of 93.35 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(4-chlorophenyl)methyl]-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamide. Following Lipinski's Rule of Five, N-[(4-chlorophenyl)methyl]-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamide has 3 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-[(4-chlorophenyl)methyl]-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamide?
The CAS number of N-[(4-chlorophenyl)methyl]-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamide is 211178-69-7.
What is the molecular formula of N-[(4-chlorophenyl)methyl]-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamide?
The molecular formula of N-[(4-chlorophenyl)methyl]-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamide is C17H13ClN2O3.
What is the molecular weight of N-[(4-chlorophenyl)methyl]-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamide?
The molecular weight of N-[(4-chlorophenyl)methyl]-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamide is 328.06 g/mol.
Where can I buy N-[(4-chlorophenyl)methyl]-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamide?
You can request a quote for N-[(4-chlorophenyl)methyl]-2-cyano-3-(3,4-dihydroxyphenyl)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-chlorophenyl)methyl]-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(4-chlorophenyl)methyl]-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.