3-(Dimethylamino)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)prop-2-enal
TL;DR: 3-(Dimethylamino)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)prop-2-enal (CAS 339029-53-7) is a chemical compound with molecular formula C9H11N3O4 and molecular weight 225.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(dimethylamino)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)prop-2-enal
Also Known As: 3-(dimethylamino)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)prop-2-enal, 3-(dimethylamino)-2-(3-methyl-4-nitro-5-isoxazolyl)acrylaldehyde
| Molecular Formula | C9H11N3O4 |
|---|---|
| Molecular Weight | 225.07 g/mol |
| LogP | 0.99262 |
| Topological Polar Surface Area | 89.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 225.07495 |
| Heavy Atoms | 16 |
| Complexity | 447.60663 |
Chemical Identifiers
| CAS Number | 339029-53-7 |
|---|---|
| SMILES | CC1=NOC(=C1[N+](=O)[O-])C(=CN(C)C)C=O |
Product Overview
3-(Dimethylamino)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)prop-2-enal (CAS 339029-53-7), with molecular formula C9H11N3O4 and molecular weight 225.07 g/mol. IUPAC: 3-(dimethylamino)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)prop-2-enal.
Chemical Property Profile of 3-(Dimethylamino)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)prop-2-enal
Property Insights of 3-(Dimethylamino)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)prop-2-enal
The XLogP value of 0.99262 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Dimethylamino)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)prop-2-enal. The TPSA of 89.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Dimethylamino)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)prop-2-enal. Following Lipinski's Rule of Five, 3-(Dimethylamino)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)prop-2-enal has 0 hydrogen bond donor(s) and 6 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-(3-methyl-4-nitro-1,2-oxazol-5-yl)prop-2-enal?
The CAS number of 3-(Dimethylamino)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)prop-2-enal is 339029-53-7.
What is the molecular formula of 3-(Dimethylamino)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)prop-2-enal?
The molecular formula of 3-(Dimethylamino)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)prop-2-enal is C9H11N3O4.
What is the molecular weight of 3-(Dimethylamino)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)prop-2-enal?
The molecular weight of 3-(Dimethylamino)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)prop-2-enal is 225.07 g/mol.
Where can I buy 3-(Dimethylamino)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)prop-2-enal?
You can request a quote for 3-(Dimethylamino)-2-(3-methyl-4-nitro-1,2-oxazol-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-(3-methyl-4-nitro-1,2-oxazol-5-yl)prop-2-enal?
Yes, KEHONG BIO provides custom synthesis services for 3-(Dimethylamino)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)prop-2-enal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.