3-(Dimethylamino)-2-(4-methoxyphenyl)acrolein
TL;DR: 3-(Dimethylamino)-2-(4-methoxyphenyl)acrolein (CAS 53868-28-3) is a chemical compound with molecular formula C12H15NO2 and molecular weight 205.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(dimethylamino)-2-(4-methoxyphenyl)prop-2-enal
Also Known As: 3-(Dimethylamino)-2-(4-methoxyphenyl)acrolein, 3-(dimethylamino)-2-(4-methoxyphenyl)prop-2-enal, (Z)-3-(dimethylamino)-2-(4-methoxyphenyl)prop-2-enal, (2E)-3-(dimethylamino)-2-(4-methoxyphenyl)acrylaldehyde
| Molecular Formula | C12H15NO2 |
|---|---|
| Molecular Weight | 205.11 g/mol |
| LogP | 1.7966 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 205.11028 |
| Heavy Atoms | 15 |
| Complexity | 352.3898 |
Chemical Identifiers
| CAS Number | 53868-28-3 |
|---|---|
| SMILES | CN(C)C=C(C=O)C1=CC=C(C=C1)OC |
Product Overview
3-(Dimethylamino)-2-(4-methoxyphenyl)acrolein (CAS 53868-28-3), with molecular formula C12H15NO2 and molecular weight 205.11 g/mol. IUPAC: 3-(dimethylamino)-2-(4-methoxyphenyl)prop-2-enal.
Chemical Property Profile of 3-(Dimethylamino)-2-(4-methoxyphenyl)acrolein
Property Insights of 3-(Dimethylamino)-2-(4-methoxyphenyl)acrolein
The XLogP value of 1.7966 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Dimethylamino)-2-(4-methoxyphenyl)acrolein. With a topological polar surface area (TPSA) of 29.54 Ų, 3-(Dimethylamino)-2-(4-methoxyphenyl)acrolein exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Dimethylamino)-2-(4-methoxyphenyl)acrolein 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-(Dimethylamino)-2-(4-methoxyphenyl)acrolein?
The CAS number of 3-(Dimethylamino)-2-(4-methoxyphenyl)acrolein is 53868-28-3.
What is the molecular formula of 3-(Dimethylamino)-2-(4-methoxyphenyl)acrolein?
The molecular formula of 3-(Dimethylamino)-2-(4-methoxyphenyl)acrolein is C12H15NO2.
What is the molecular weight of 3-(Dimethylamino)-2-(4-methoxyphenyl)acrolein?
The molecular weight of 3-(Dimethylamino)-2-(4-methoxyphenyl)acrolein is 205.11 g/mol.
Where can I buy 3-(Dimethylamino)-2-(4-methoxyphenyl)acrolein?
You can request a quote for 3-(Dimethylamino)-2-(4-methoxyphenyl)acrolein directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Dimethylamino)-2-(4-methoxyphenyl)acrolein?
Yes, KEHONG BIO provides custom synthesis services for 3-(Dimethylamino)-2-(4-methoxyphenyl)acrolein and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.