N,N-Dimethylphenanthro(3,4-d)-1,3-dioxole-5-ethanamine
TL;DR: N,N-Dimethylphenanthro(3,4-d)-1,3-dioxole-5-ethanamine (CAS 79398-27-9) is a chemical compound with molecular formula C19H19NO2 and molecular weight 293.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-2-naphtho[2,1-g][1,3]benzodioxol-5-ylethanamine
Also Known As: stephenanthrine, Stephanthrine, Des-N-methyl-aporphin, ChemDiv3_003111, BAS 02913228
| Molecular Formula | C19H19NO2 |
|---|---|
| Molecular Weight | 293.14 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 21.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 293.14157 |
| Heavy Atoms | 22 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 79398-27-9 |
|---|---|
| SMILES | CN(C)CCC1=CC2=C(C3=C1C=CC4=CC=CC=C43)OCO2 |
| InChIKey | FXTBDJZGDJJCQU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N,N-Dimethylphenanthro(3,4-d)-1,3-dioxole-5-ethanamine (CAS 79398-27-9), with molecular formula C19H19NO2 and molecular weight 293.14 g/mol. IUPAC: N,N-dimethyl-2-naphtho[2,1-g][1,3]benzodioxol-5-ylethanamine.
Chemical Property Profile of N,N-Dimethylphenanthro(3,4-d)-1,3-dioxole-5-ethanamine
Property Insights of N,N-Dimethylphenanthro(3,4-d)-1,3-dioxole-5-ethanamine
The XLogP value of 4.5 indicates that N,N-Dimethylphenanthro(3,4-d)-1,3-dioxole-5-ethanamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.7 Ų, N,N-Dimethylphenanthro(3,4-d)-1,3-dioxole-5-ethanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-Dimethylphenanthro(3,4-d)-1,3-dioxole-5-ethanamine has 0 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,N-Dimethylphenanthro(3,4-d)-1,3-dioxole-5-ethanamine?
The CAS number of N,N-Dimethylphenanthro(3,4-d)-1,3-dioxole-5-ethanamine is 79398-27-9.
What is the molecular formula of N,N-Dimethylphenanthro(3,4-d)-1,3-dioxole-5-ethanamine?
The molecular formula of N,N-Dimethylphenanthro(3,4-d)-1,3-dioxole-5-ethanamine is C19H19NO2.
What is the molecular weight of N,N-Dimethylphenanthro(3,4-d)-1,3-dioxole-5-ethanamine?
The molecular weight of N,N-Dimethylphenanthro(3,4-d)-1,3-dioxole-5-ethanamine is 293.14 g/mol.
Where can I buy N,N-Dimethylphenanthro(3,4-d)-1,3-dioxole-5-ethanamine?
You can request a quote for N,N-Dimethylphenanthro(3,4-d)-1,3-dioxole-5-ethanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-Dimethylphenanthro(3,4-d)-1,3-dioxole-5-ethanamine?
Yes, KEHONG BIO provides custom synthesis services for N,N-Dimethylphenanthro(3,4-d)-1,3-dioxole-5-ethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.