3-(Dimethylamino)-2-(propan-2-ylamino)prop-2-enal
TL;DR: 3-(Dimethylamino)-2-(propan-2-ylamino)prop-2-enal (CAS 42801-01-4) is a chemical compound with molecular formula C8H16N2O and molecular weight 156.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(dimethylamino)-2-(propan-2-ylamino)prop-2-enal
Also Known As: 3-(dimethylamino)-2-(propan-2-ylamino)prop-1-en-1-one
| Molecular Formula | C8H16N2O |
|---|---|
| Molecular Weight | 156.13 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 156.12627 |
| Heavy Atoms | 11 |
| Complexity | 150.0 |
Chemical Identifiers
| CAS Number | 42801-01-4 |
|---|---|
| SMILES | CC(C)NC(=CN(C)C)C=O |
| InChIKey | MVZPVHJIBWFIDS-UHFFFAOYSA-N |
Product Overview
3-(Dimethylamino)-2-(propan-2-ylamino)prop-2-enal (CAS 42801-01-4), with molecular formula C8H16N2O and molecular weight 156.13 g/mol. IUPAC: 3-(dimethylamino)-2-(propan-2-ylamino)prop-2-enal.
Chemical Property Profile of 3-(Dimethylamino)-2-(propan-2-ylamino)prop-2-enal
Property Insights of 3-(Dimethylamino)-2-(propan-2-ylamino)prop-2-enal
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Dimethylamino)-2-(propan-2-ylamino)prop-2-enal. With a topological polar surface area (TPSA) of 32.3 Ų, 3-(Dimethylamino)-2-(propan-2-ylamino)prop-2-enal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Dimethylamino)-2-(propan-2-ylamino)prop-2-enal has 1 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-(propan-2-ylamino)prop-2-enal?
The CAS number of 3-(Dimethylamino)-2-(propan-2-ylamino)prop-2-enal is 42801-01-4.
What is the molecular formula of 3-(Dimethylamino)-2-(propan-2-ylamino)prop-2-enal?
The molecular formula of 3-(Dimethylamino)-2-(propan-2-ylamino)prop-2-enal is C8H16N2O.
What is the molecular weight of 3-(Dimethylamino)-2-(propan-2-ylamino)prop-2-enal?
The molecular weight of 3-(Dimethylamino)-2-(propan-2-ylamino)prop-2-enal is 156.13 g/mol.
Where can I buy 3-(Dimethylamino)-2-(propan-2-ylamino)prop-2-enal?
You can request a quote for 3-(Dimethylamino)-2-(propan-2-ylamino)prop-2-enal 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-(propan-2-ylamino)prop-2-enal?
Yes, KEHONG BIO provides custom synthesis services for 3-(Dimethylamino)-2-(propan-2-ylamino)prop-2-enal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.