3-dimethylamino-2-picrylacrolein
TL;DR: 3-dimethylamino-2-picrylacrolein (CAS 21190-22-7) is a chemical compound with molecular formula C11H10N4O7 and molecular weight 310.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(dimethylamino)-2-(2,4,6-trinitrophenyl)prop-2-enal
Also Known As: 3-dimethylamino-2-picrylacrolein, 3-dimethylamino-2-(2,4,6-trinitrophenyl)prop-2-enal, 3-(dimethylamino)-2-(2,4,6-trinitrophenyl)prop-2-enal
| Molecular Formula | C11H10N4O7 |
|---|---|
| Molecular Weight | 310.05 g/mol |
| LogP | 1.5126 |
| Topological Polar Surface Area | 149.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 310.05496 |
| Heavy Atoms | 22 |
| Complexity | 660.67615 |
Chemical Identifiers
| CAS Number | 21190-22-7 |
|---|---|
| SMILES | CN(C)C=C(C=O)C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
3-dimethylamino-2-picrylacrolein (CAS 21190-22-7), with molecular formula C11H10N4O7 and molecular weight 310.05 g/mol. IUPAC: 3-(dimethylamino)-2-(2,4,6-trinitrophenyl)prop-2-enal.
Chemical Property Profile of 3-dimethylamino-2-picrylacrolein
Property Insights of 3-dimethylamino-2-picrylacrolein
The XLogP value of 1.5126 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-dimethylamino-2-picrylacrolein. The TPSA of 149.73 Ų indicates high polarity, suggesting 3-dimethylamino-2-picrylacrolein may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-dimethylamino-2-picrylacrolein has 0 hydrogen bond donor(s) and 8 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-picrylacrolein?
The CAS number of 3-dimethylamino-2-picrylacrolein is 21190-22-7.
What is the molecular formula of 3-dimethylamino-2-picrylacrolein?
The molecular formula of 3-dimethylamino-2-picrylacrolein is C11H10N4O7.
What is the molecular weight of 3-dimethylamino-2-picrylacrolein?
The molecular weight of 3-dimethylamino-2-picrylacrolein is 310.05 g/mol.
Where can I buy 3-dimethylamino-2-picrylacrolein?
You can request a quote for 3-dimethylamino-2-picrylacrolein 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-picrylacrolein?
Yes, KEHONG BIO provides custom synthesis services for 3-dimethylamino-2-picrylacrolein and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.