5-(Aziridin-1-yl)-2,4-dinitro-N-(prop-2-en-1-yl)benzamide
TL;DR: 5-(Aziridin-1-yl)-2,4-dinitro-N-(prop-2-en-1-yl)benzamide (CAS 35425-47-9) is a chemical compound with molecular formula C12H12N4O5 and molecular weight 292.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(aziridin-1-yl)-2,4-dinitro-N-prop-2-enylbenzamide
Also Known As: 5-(aziridin-1-yl)-2,4-dinitro-N-prop-2-enylbenzamide, 5-(Aziridin-1-yl)-2,4-dinitro-N-(prop-2-en-1-yl)benzamide, BENZAMIDE,5-(1-AZIRIDINYL)-2,4-DINITRO-N-2-PROPEN-1-YL-
| Molecular Formula | C12H12N4O5 |
|---|---|
| Molecular Weight | 292.08 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 292.08078 |
| Heavy Atoms | 21 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 35425-47-9 |
|---|---|
| SMILES | C=CCNC(=O)C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N2CC2 |
| InChIKey | KLVAIKQZHOZXNU-UHFFFAOYSA-N |
Product Overview
5-(Aziridin-1-yl)-2,4-dinitro-N-(prop-2-en-1-yl)benzamide (CAS 35425-47-9), with molecular formula C12H12N4O5 and molecular weight 292.08 g/mol. IUPAC: 5-(aziridin-1-yl)-2,4-dinitro-N-prop-2-enylbenzamide.
Chemical Property Profile of 5-(Aziridin-1-yl)-2,4-dinitro-N-(prop-2-en-1-yl)benzamide
Property Insights of 5-(Aziridin-1-yl)-2,4-dinitro-N-(prop-2-en-1-yl)benzamide
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Aziridin-1-yl)-2,4-dinitro-N-(prop-2-en-1-yl)benzamide. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Aziridin-1-yl)-2,4-dinitro-N-(prop-2-en-1-yl)benzamide. Following Lipinski's Rule of Five, 5-(Aziridin-1-yl)-2,4-dinitro-N-(prop-2-en-1-yl)benzamide has 1 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 5-(Aziridin-1-yl)-2,4-dinitro-N-(prop-2-en-1-yl)benzamide?
The CAS number of 5-(Aziridin-1-yl)-2,4-dinitro-N-(prop-2-en-1-yl)benzamide is 35425-47-9.
What is the molecular formula of 5-(Aziridin-1-yl)-2,4-dinitro-N-(prop-2-en-1-yl)benzamide?
The molecular formula of 5-(Aziridin-1-yl)-2,4-dinitro-N-(prop-2-en-1-yl)benzamide is C12H12N4O5.
What is the molecular weight of 5-(Aziridin-1-yl)-2,4-dinitro-N-(prop-2-en-1-yl)benzamide?
The molecular weight of 5-(Aziridin-1-yl)-2,4-dinitro-N-(prop-2-en-1-yl)benzamide is 292.08 g/mol.
Where can I buy 5-(Aziridin-1-yl)-2,4-dinitro-N-(prop-2-en-1-yl)benzamide?
You can request a quote for 5-(Aziridin-1-yl)-2,4-dinitro-N-(prop-2-en-1-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Aziridin-1-yl)-2,4-dinitro-N-(prop-2-en-1-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 5-(Aziridin-1-yl)-2,4-dinitro-N-(prop-2-en-1-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.