N-(1,3-benzodioxol-5-ylmethyl)-N-cinnamylamine
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-N-cinnamylamine (CAS 158657-44-4) is a chemical compound with molecular formula C17H17NO2 and molecular weight 267.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-(1,3-benzodioxol-5-ylmethyl)-3-phenylprop-2-en-1-amine
Also Known As: BAS 12416268, N-(1,3-benzodioxol-5-ylmethyl)-N-cinnamylamine, AN-465/42767379, Benzo[1,3]dioxol-5-ylmethyl-(3-phenyl-allyl)-amine, (E)-N-(1,3-benzodioxol-5-ylmethyl)-3-phenylprop-2-en-1-amine
| Molecular Formula | C17H17NO2 |
|---|---|
| Molecular Weight | 267.13 g/mol |
| LogP | 3.2183 |
| Topological Polar Surface Area | 30.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 267.12592 |
| Heavy Atoms | 20 |
| Complexity | 593.1939 |
Chemical Identifiers
| CAS Number | 158657-44-4 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC/C=C/C3=CC=CC=C3 |
Product Overview
N-(1,3-benzodioxol-5-ylmethyl)-N-cinnamylamine (CAS 158657-44-4), with molecular formula C17H17NO2 and molecular weight 267.13 g/mol. IUPAC: (E)-N-(1,3-benzodioxol-5-ylmethyl)-3-phenylprop-2-en-1-amine.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)-N-cinnamylamine
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)-N-cinnamylamine
The XLogP value of 3.2183 indicates that N-(1,3-benzodioxol-5-ylmethyl)-N-cinnamylamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.49 Ų, N-(1,3-benzodioxol-5-ylmethyl)-N-cinnamylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)-N-cinnamylamine has 1 hydrogen bond donor(s) and 3 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-(1,3-benzodioxol-5-ylmethyl)-N-cinnamylamine?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-N-cinnamylamine is 158657-44-4.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-N-cinnamylamine?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-N-cinnamylamine is C17H17NO2.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-N-cinnamylamine?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-N-cinnamylamine is 267.13 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)-N-cinnamylamine?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)-N-cinnamylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzodioxol-5-ylmethyl)-N-cinnamylamine?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)-N-cinnamylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.