3,5-dinitro-N,N-bis(prop-2-enyl)benzamide
TL;DR: 3,5-dinitro-N,N-bis(prop-2-enyl)benzamide (CAS 91768-82-0) is a chemical compound with molecular formula C13H13N3O5 and molecular weight 291.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dinitro-N,N-bis(prop-2-enyl)benzamide
Also Known As: N,N-Diallyl-3,5-dinitrobenzamide, 3,5-dinitro-N,N-bis(prop-2-enyl)benzamide, N,N-Diallyl-3,5-dinitro-benzamide, 3,5-bisnitro-N,N-diprop-2-enylbenzamide, BAS 00623613
| Molecular Formula | C13H13N3O5 |
|---|---|
| Molecular Weight | 291.09 g/mol |
| LogP | 2.3172 |
| Topological Polar Surface Area | 106.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 291.0855 |
| Heavy Atoms | 21 |
| Complexity | 569.57434 |
Chemical Identifiers
| CAS Number | 91768-82-0 |
|---|---|
| SMILES | C=CCN(CC=C)C(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
3,5-dinitro-N,N-bis(prop-2-enyl)benzamide (CAS 91768-82-0), with molecular formula C13H13N3O5 and molecular weight 291.09 g/mol. IUPAC: 3,5-dinitro-N,N-bis(prop-2-enyl)benzamide.
Chemical Property Profile of 3,5-dinitro-N,N-bis(prop-2-enyl)benzamide
Property Insights of 3,5-dinitro-N,N-bis(prop-2-enyl)benzamide
The XLogP value of 2.3172 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-dinitro-N,N-bis(prop-2-enyl)benzamide. The TPSA of 106.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-dinitro-N,N-bis(prop-2-enyl)benzamide. Following Lipinski's Rule of Five, 3,5-dinitro-N,N-bis(prop-2-enyl)benzamide has 0 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 3,5-dinitro-N,N-bis(prop-2-enyl)benzamide?
The CAS number of 3,5-dinitro-N,N-bis(prop-2-enyl)benzamide is 91768-82-0.
What is the molecular formula of 3,5-dinitro-N,N-bis(prop-2-enyl)benzamide?
The molecular formula of 3,5-dinitro-N,N-bis(prop-2-enyl)benzamide is C13H13N3O5.
What is the molecular weight of 3,5-dinitro-N,N-bis(prop-2-enyl)benzamide?
The molecular weight of 3,5-dinitro-N,N-bis(prop-2-enyl)benzamide is 291.09 g/mol.
Where can I buy 3,5-dinitro-N,N-bis(prop-2-enyl)benzamide?
You can request a quote for 3,5-dinitro-N,N-bis(prop-2-enyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-dinitro-N,N-bis(prop-2-enyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3,5-dinitro-N,N-bis(prop-2-enyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.