3-(dimethylamino)-2-(4-nitro-1H-pyrazol-5-yl)prop-2-enal
TL;DR: 3-(dimethylamino)-2-(4-nitro-1H-pyrazol-5-yl)prop-2-enal (CAS 309727-44-4) is a chemical compound with molecular formula C8H10N4O3 and molecular weight 210.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(dimethylamino)-2-(4-nitro-1H-pyrazol-5-yl)prop-2-enal
Also Known As: 3-(dimethylamino)-2-(4-nitro-1H-pyrazol-5-yl)prop-2-enal, ZERO/001426, 3-[2-(Dimethylamino)-1-formylvinyl]-4-nitro-1H-pyrazole, 3-(Dimethylamino)-2-(4-nitro-1H-pyrazol-3-yl)acrylaldehyde, 3-(Dimethylamino)-2-{4-nitro-1H-pyrazol-3-yl}acrylaldehyde
| Molecular Formula | C8H10N4O3 |
|---|---|
| Molecular Weight | 210.08 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 210.07529 |
| Heavy Atoms | 15 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 309727-44-4 |
|---|---|
| SMILES | CN(C)C=C(C=O)C1=C(C=NN1)[N+](=O)[O-] |
| InChIKey | SUGVIGXHFTXDTJ-UHFFFAOYSA-N |
Product Overview
3-(dimethylamino)-2-(4-nitro-1H-pyrazol-5-yl)prop-2-enal (CAS 309727-44-4), with molecular formula C8H10N4O3 and molecular weight 210.08 g/mol. IUPAC: 3-(dimethylamino)-2-(4-nitro-1H-pyrazol-5-yl)prop-2-enal.
Chemical Property Profile of 3-(dimethylamino)-2-(4-nitro-1H-pyrazol-5-yl)prop-2-enal
Property Insights of 3-(dimethylamino)-2-(4-nitro-1H-pyrazol-5-yl)prop-2-enal
The XLogP value of -0.1 indicates that 3-(dimethylamino)-2-(4-nitro-1H-pyrazol-5-yl)prop-2-enal is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(dimethylamino)-2-(4-nitro-1H-pyrazol-5-yl)prop-2-enal. Following Lipinski's Rule of Five, 3-(dimethylamino)-2-(4-nitro-1H-pyrazol-5-yl)prop-2-enal has 1 hydrogen bond donor(s) and 5 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-nitro-1H-pyrazol-5-yl)prop-2-enal?
The CAS number of 3-(dimethylamino)-2-(4-nitro-1H-pyrazol-5-yl)prop-2-enal is 309727-44-4.
What is the molecular formula of 3-(dimethylamino)-2-(4-nitro-1H-pyrazol-5-yl)prop-2-enal?
The molecular formula of 3-(dimethylamino)-2-(4-nitro-1H-pyrazol-5-yl)prop-2-enal is C8H10N4O3.
What is the molecular weight of 3-(dimethylamino)-2-(4-nitro-1H-pyrazol-5-yl)prop-2-enal?
The molecular weight of 3-(dimethylamino)-2-(4-nitro-1H-pyrazol-5-yl)prop-2-enal is 210.08 g/mol.
Where can I buy 3-(dimethylamino)-2-(4-nitro-1H-pyrazol-5-yl)prop-2-enal?
You can request a quote for 3-(dimethylamino)-2-(4-nitro-1H-pyrazol-5-yl)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-(4-nitro-1H-pyrazol-5-yl)prop-2-enal?
Yes, KEHONG BIO provides custom synthesis services for 3-(dimethylamino)-2-(4-nitro-1H-pyrazol-5-yl)prop-2-enal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.