N-Caffeoylputrescine
TL;DR: N-Caffeoylputrescine (CAS 1400-81-3) 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.
(E)-N-(4-aminobutyl)-3-(3,4-dihydroxyphenyl)prop-2-enamide
Also Known As: N-Caffeoylputrescine, Paucine, caffeoylputrescine, N-Caffeoylputrescine,(E)-, N-Caffeoylputrescine, (E)-
| Molecular Formula | C13H18N2O3 |
|---|---|
| Molecular Weight | 250.13 g/mol |
| LogP | 0.9661 |
| Topological Polar Surface Area | 95.58 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 250.13174 |
| Heavy Atoms | 18 |
| Complexity | 430.24457 |
Chemical Identifiers
| CAS Number | 1400-81-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1/C=C/C(=O)NCCCCN)O)O |
Product Overview
N-Caffeoylputrescine (CAS 1400-81-3), with molecular formula C13H18N2O3 and molecular weight 250.13 g/mol. IUPAC: (E)-N-(4-aminobutyl)-3-(3,4-dihydroxyphenyl)prop-2-enamide.
Chemical Property Profile of N-Caffeoylputrescine
Property Insights of N-Caffeoylputrescine
The XLogP value of 0.9661 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Caffeoylputrescine. The TPSA of 95.58 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Caffeoylputrescine. Following Lipinski's Rule of Five, N-Caffeoylputrescine 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-Caffeoylputrescine?
The CAS number of N-Caffeoylputrescine is 1400-81-3.
What is the molecular formula of N-Caffeoylputrescine?
The molecular formula of N-Caffeoylputrescine is C13H18N2O3.
What is the molecular weight of N-Caffeoylputrescine?
The molecular weight of N-Caffeoylputrescine is 250.13 g/mol.
Where can I buy N-Caffeoylputrescine?
You can request a quote for N-Caffeoylputrescine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Caffeoylputrescine?
Yes, KEHONG BIO provides custom synthesis services for N-Caffeoylputrescine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.