Methyl 4-dimethylaminocinnamate
TL;DR: Methyl 4-dimethylaminocinnamate (CAS 63511-96-6) 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.
methyl 3-[4-(dimethylamino)phenyl]prop-2-enoate
Also Known As: Methyl 3-(4-(dimethylamino)phenyl)acrylate, Dac-O-Me, methyl p-dimethylaminocinnamate, Methyl 4-(dimethylamino)cinnamate, methyl 4-dimethylaminocinnamate
| Molecular Formula | C12H15NO2 |
|---|---|
| Molecular Weight | 205.11 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 205.11028 |
| Heavy Atoms | 15 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 63511-96-6 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C=CC(=O)OC |
| InChIKey | ZKGVSZCAHWJHDJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 4-dimethylaminocinnamate (CAS 63511-96-6), with molecular formula C12H15NO2 and molecular weight 205.11 g/mol. IUPAC: methyl 3-[4-(dimethylamino)phenyl]prop-2-enoate.
Chemical Property Profile of Methyl 4-dimethylaminocinnamate
Property Insights of Methyl 4-dimethylaminocinnamate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-dimethylaminocinnamate. With a topological polar surface area (TPSA) of 29.5 Ų, Methyl 4-dimethylaminocinnamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-dimethylaminocinnamate 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 Methyl 4-dimethylaminocinnamate?
The CAS number of Methyl 4-dimethylaminocinnamate is 63511-96-6.
What is the molecular formula of Methyl 4-dimethylaminocinnamate?
The molecular formula of Methyl 4-dimethylaminocinnamate is C12H15NO2.
What is the molecular weight of Methyl 4-dimethylaminocinnamate?
The molecular weight of Methyl 4-dimethylaminocinnamate is 205.11 g/mol.
Where can I buy Methyl 4-dimethylaminocinnamate?
You can request a quote for Methyl 4-dimethylaminocinnamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-dimethylaminocinnamate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-dimethylaminocinnamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.