1-(3-Cyanophenyl)-3-(dimethylamino)acrolein
TL;DR: 1-(3-Cyanophenyl)-3-(dimethylamino)acrolein (CAS 145276-31-9) is a chemical compound with molecular formula C12H12N2O and molecular weight 200.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(E)-3-(dimethylamino)prop-2-enoyl]benzonitrile
Also Known As: Ho}H@I\DfYU[d]ZABblAEP, 3-[3-(dimethylamino)prop-2-enoyl]benzonitrile, 1-(3-cyanophenyl)-3-(dimethylamino)acrolein, 3-[(E)-3-(dimethylamino)-2-propenoyl]benzenecarbonitrile, 3-[(E)-3-(dimethylamino)prop-2-enoyl]benzonitrile
| Molecular Formula | C12H12N2O |
|---|---|
| Molecular Weight | 200.09 g/mol |
| LogP | 1.81628 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 200.09496 |
| Heavy Atoms | 15 |
| Complexity | 427.4934 |
Chemical Identifiers
| CAS Number | 145276-31-9 |
|---|---|
| SMILES | CN(C)/C=C/C(=O)C1=CC=CC(=C1)C#N |
Product Overview
1-(3-Cyanophenyl)-3-(dimethylamino)acrolein (CAS 145276-31-9), with molecular formula C12H12N2O and molecular weight 200.09 g/mol. IUPAC: 3-[(E)-3-(dimethylamino)prop-2-enoyl]benzonitrile.
Chemical Property Profile of 1-(3-Cyanophenyl)-3-(dimethylamino)acrolein
Property Insights of 1-(3-Cyanophenyl)-3-(dimethylamino)acrolein
The XLogP value of 1.81628 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Cyanophenyl)-3-(dimethylamino)acrolein. With a topological polar surface area (TPSA) of 44.1 Ų, 1-(3-Cyanophenyl)-3-(dimethylamino)acrolein exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Cyanophenyl)-3-(dimethylamino)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 1-(3-Cyanophenyl)-3-(dimethylamino)acrolein?
The CAS number of 1-(3-Cyanophenyl)-3-(dimethylamino)acrolein is 145276-31-9.
What is the molecular formula of 1-(3-Cyanophenyl)-3-(dimethylamino)acrolein?
The molecular formula of 1-(3-Cyanophenyl)-3-(dimethylamino)acrolein is C12H12N2O.
What is the molecular weight of 1-(3-Cyanophenyl)-3-(dimethylamino)acrolein?
The molecular weight of 1-(3-Cyanophenyl)-3-(dimethylamino)acrolein is 200.09 g/mol.
Where can I buy 1-(3-Cyanophenyl)-3-(dimethylamino)acrolein?
You can request a quote for 1-(3-Cyanophenyl)-3-(dimethylamino)acrolein directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Cyanophenyl)-3-(dimethylamino)acrolein?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Cyanophenyl)-3-(dimethylamino)acrolein and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.