![3-[1-(dimethylaminomethyl)indol-3-yl]-1-(4-methoxyphenyl)prop-2-en-1-one structure](/static/products/896/896853-76-2.png)
3-[1-(dimethylaminomethyl)indol-3-yl]-1-(4-methoxyphenyl)prop-2-en-1-one
TL;DR: 3-[1-(dimethylaminomethyl)indol-3-yl]-1-(4-methoxyphenyl)prop-2-en-1-one (CAS 896853-76-2) is a chemical compound with molecular formula C21H22N2O2 and molecular weight 334.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[1-[(dimethylamino)methyl]indol-3-yl]-1-(4-methoxyphenyl)prop-2-en-1-one
Also Known As: 3-[1-(dimethylaminomethyl)indol-3-yl]-1-(4-methoxyphenyl)prop-2-en-1-one, (2E)-3-{1-[(dimethylamino)methyl]-1H-indol-3-yl}-1-(4-methoxyphenyl)prop-2-en-1-one, (E)-3-(1-((dimethylamino)methyl)-1H-indol-3-yl)-1-(4-methoxyphenyl)prop-2-en-1-one, (E)-3-[1-(dimethylaminomethyl)indol-3-yl]-1-(4-methoxyphenyl)prop-2-en-1-one
| Molecular Formula | C21H22N2O2 |
|---|---|
| Molecular Weight | 334.17 g/mol |
| LogP | 4.0651 |
| Topological Polar Surface Area | 34.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 334.16812 |
| Heavy Atoms | 25 |
| Complexity | 905.29565 |
Chemical Identifiers
| CAS Number | 896853-76-2 |
|---|---|
| SMILES | CN(C)CN1C=C(C2=CC=CC=C21)/C=C/C(=O)C3=CC=C(C=C3)OC |
Product Overview
3-[1-(dimethylaminomethyl)indol-3-yl]-1-(4-methoxyphenyl)prop-2-en-1-one (CAS 896853-76-2), with molecular formula C21H22N2O2 and molecular weight 334.17 g/mol. IUPAC: (E)-3-[1-[(dimethylamino)methyl]indol-3-yl]-1-(4-methoxyphenyl)prop-2-en-1-one.
Chemical Property Profile of 3-[1-(dimethylaminomethyl)indol-3-yl]-1-(4-methoxyphenyl)prop-2-en-1-one
Property Insights of 3-[1-(dimethylaminomethyl)indol-3-yl]-1-(4-methoxyphenyl)prop-2-en-1-one
The XLogP value of 4.0651 indicates that 3-[1-(dimethylaminomethyl)indol-3-yl]-1-(4-methoxyphenyl)prop-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.47 Ų, 3-[1-(dimethylaminomethyl)indol-3-yl]-1-(4-methoxyphenyl)prop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[1-(dimethylaminomethyl)indol-3-yl]-1-(4-methoxyphenyl)prop-2-en-1-one 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 3-[1-(dimethylaminomethyl)indol-3-yl]-1-(4-methoxyphenyl)prop-2-en-1-one?
The CAS number of 3-[1-(dimethylaminomethyl)indol-3-yl]-1-(4-methoxyphenyl)prop-2-en-1-one is 896853-76-2.
What is the molecular formula of 3-[1-(dimethylaminomethyl)indol-3-yl]-1-(4-methoxyphenyl)prop-2-en-1-one?
The molecular formula of 3-[1-(dimethylaminomethyl)indol-3-yl]-1-(4-methoxyphenyl)prop-2-en-1-one is C21H22N2O2.
What is the molecular weight of 3-[1-(dimethylaminomethyl)indol-3-yl]-1-(4-methoxyphenyl)prop-2-en-1-one?
The molecular weight of 3-[1-(dimethylaminomethyl)indol-3-yl]-1-(4-methoxyphenyl)prop-2-en-1-one is 334.17 g/mol.
Where can I buy 3-[1-(dimethylaminomethyl)indol-3-yl]-1-(4-methoxyphenyl)prop-2-en-1-one?
You can request a quote for 3-[1-(dimethylaminomethyl)indol-3-yl]-1-(4-methoxyphenyl)prop-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[1-(dimethylaminomethyl)indol-3-yl]-1-(4-methoxyphenyl)prop-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[1-(dimethylaminomethyl)indol-3-yl]-1-(4-methoxyphenyl)prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.