3-(Dimethylamino)-2-(4-methylphenyl)acrylaldehyde
TL;DR: 3-(Dimethylamino)-2-(4-methylphenyl)acrylaldehyde (CAS 53868-38-5) is a chemical compound with molecular formula C12H15NO and molecular weight 189.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-(dimethylamino)-2-(4-methylphenyl)prop-2-enal
Also Known As: Hg^H@NCHeEDdhkImHPTPBLP, 3-(dimethylamino)-2-(4-methylphenyl)acrylaldehyde, 3- -2- ACRYLALDEHYDE, dimethylaminomethylphenylacrylaldehyde, 5195AE
| Molecular Formula | C12H15NO |
|---|---|
| Molecular Weight | 189.12 g/mol |
| LogP | 2.09642 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 189.11537 |
| Heavy Atoms | 14 |
| Complexity | 335.8443 |
Chemical Identifiers
| CAS Number | 53868-38-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/C(=C/N(C)C)/C=O |
Product Overview
3-(Dimethylamino)-2-(4-methylphenyl)acrylaldehyde (CAS 53868-38-5), with molecular formula C12H15NO and molecular weight 189.12 g/mol. IUPAC: (Z)-3-(dimethylamino)-2-(4-methylphenyl)prop-2-enal.
Chemical Property Profile of 3-(Dimethylamino)-2-(4-methylphenyl)acrylaldehyde
Property Insights of 3-(Dimethylamino)-2-(4-methylphenyl)acrylaldehyde
The XLogP value of 2.09642 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Dimethylamino)-2-(4-methylphenyl)acrylaldehyde. With a topological polar surface area (TPSA) of 20.31 Ų, 3-(Dimethylamino)-2-(4-methylphenyl)acrylaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Dimethylamino)-2-(4-methylphenyl)acrylaldehyde has 0 hydrogen bond donor(s) and 2 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-methylphenyl)acrylaldehyde?
The CAS number of 3-(Dimethylamino)-2-(4-methylphenyl)acrylaldehyde is 53868-38-5.
What is the molecular formula of 3-(Dimethylamino)-2-(4-methylphenyl)acrylaldehyde?
The molecular formula of 3-(Dimethylamino)-2-(4-methylphenyl)acrylaldehyde is C12H15NO.
What is the molecular weight of 3-(Dimethylamino)-2-(4-methylphenyl)acrylaldehyde?
The molecular weight of 3-(Dimethylamino)-2-(4-methylphenyl)acrylaldehyde is 189.12 g/mol.
Where can I buy 3-(Dimethylamino)-2-(4-methylphenyl)acrylaldehyde?
You can request a quote for 3-(Dimethylamino)-2-(4-methylphenyl)acrylaldehyde 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-methylphenyl)acrylaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 3-(Dimethylamino)-2-(4-methylphenyl)acrylaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.