N-(4-Aminobutyl)-3-(3,4-dihydroxyphenyl)prop-2-enamide
TL;DR: N-(4-Aminobutyl)-3-(3,4-dihydroxyphenyl)prop-2-enamide (CAS 26148-06-1) is a chemical compound with molecular formula C13H18N2O3 and molecular weight 250.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-aminobutyl)-3-(3,4-dihydroxyphenyl)prop-2-enamide
Also Known As: caffeoylputrescine, N-Caffeoylputrescine, (E)-N-Caffeoylputrescine, N-Caffeoylputrescine, (E)-, N-?Caffeoylputrescine,?(E)?-
| Molecular Formula | C13H18N2O3 |
|---|---|
| Molecular Weight | 250.13 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 95.6 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 250.13174 |
| Heavy Atoms | 18 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 26148-06-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1C=CC(=O)NCCCCN)O)O |
| InChIKey | KTZNZCYTXQYEHT-UHFFFAOYSA-N |
Product Overview
N-(4-Aminobutyl)-3-(3,4-dihydroxyphenyl)prop-2-enamide (CAS 26148-06-1), with molecular formula C13H18N2O3 and molecular weight 250.13 g/mol. IUPAC: N-(4-aminobutyl)-3-(3,4-dihydroxyphenyl)prop-2-enamide.
Chemical Property Profile of N-(4-Aminobutyl)-3-(3,4-dihydroxyphenyl)prop-2-enamide
Property Insights of N-(4-Aminobutyl)-3-(3,4-dihydroxyphenyl)prop-2-enamide
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-Aminobutyl)-3-(3,4-dihydroxyphenyl)prop-2-enamide. The TPSA of 95.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-Aminobutyl)-3-(3,4-dihydroxyphenyl)prop-2-enamide. Following Lipinski's Rule of Five, N-(4-Aminobutyl)-3-(3,4-dihydroxyphenyl)prop-2-enamide has 4 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-Aminobutyl)-3-(3,4-dihydroxyphenyl)prop-2-enamide?
The CAS number of N-(4-Aminobutyl)-3-(3,4-dihydroxyphenyl)prop-2-enamide is 26148-06-1.
What is the molecular formula of N-(4-Aminobutyl)-3-(3,4-dihydroxyphenyl)prop-2-enamide?
The molecular formula of N-(4-Aminobutyl)-3-(3,4-dihydroxyphenyl)prop-2-enamide is C13H18N2O3.
What is the molecular weight of N-(4-Aminobutyl)-3-(3,4-dihydroxyphenyl)prop-2-enamide?
The molecular weight of N-(4-Aminobutyl)-3-(3,4-dihydroxyphenyl)prop-2-enamide is 250.13 g/mol.
Where can I buy N-(4-Aminobutyl)-3-(3,4-dihydroxyphenyl)prop-2-enamide?
You can request a quote for N-(4-Aminobutyl)-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-Aminobutyl)-3-(3,4-dihydroxyphenyl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-Aminobutyl)-3-(3,4-dihydroxyphenyl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.