N-(1,3-benzodioxol-5-ylmethyl)-2-(1H-indol-3-yl)ethanamine
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-2-(1H-indol-3-yl)ethanamine (CAS 51918-89-9) is a chemical compound with molecular formula C18H18N2O2 and molecular weight 294.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-2-(1H-indol-3-yl)ethanamine
Also Known As: TIMTEC-BB SBB009644, AKOS B023262, BENZENEBUTANOL, 3-METHYL-, N-(1,3-benzodioxol-5-ylmethyl)-2-(1H-indol-3-yl)ethanamine, BAS 01125528
| Molecular Formula | C18H18N2O2 |
|---|---|
| Molecular Weight | 294.14 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 46.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 294.13684 |
| Heavy Atoms | 22 |
| Complexity | 365.0 |
Chemical Identifiers
| CAS Number | 51918-89-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNCCC3=CNC4=CC=CC=C43 |
| InChIKey | QQMXLTVFXLYHPN-UHFFFAOYSA-N |
Product Overview
N-(1,3-benzodioxol-5-ylmethyl)-2-(1H-indol-3-yl)ethanamine (CAS 51918-89-9), with molecular formula C18H18N2O2 and molecular weight 294.14 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-2-(1H-indol-3-yl)ethanamine.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)-2-(1H-indol-3-yl)ethanamine
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)-2-(1H-indol-3-yl)ethanamine
The XLogP value of 3.4 indicates that N-(1,3-benzodioxol-5-ylmethyl)-2-(1H-indol-3-yl)ethanamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.3 Ų, N-(1,3-benzodioxol-5-ylmethyl)-2-(1H-indol-3-yl)ethanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)-2-(1H-indol-3-yl)ethanamine has 2 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)-2-(1H-indol-3-yl)ethanamine?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-2-(1H-indol-3-yl)ethanamine is 51918-89-9.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-2-(1H-indol-3-yl)ethanamine?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-2-(1H-indol-3-yl)ethanamine is C18H18N2O2.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-2-(1H-indol-3-yl)ethanamine?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-2-(1H-indol-3-yl)ethanamine is 294.14 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)-2-(1H-indol-3-yl)ethanamine?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)-2-(1H-indol-3-yl)ethanamine 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)-2-(1H-indol-3-yl)ethanamine?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)-2-(1H-indol-3-yl)ethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.