Dinitranyl
TL;DR: Dinitranyl (CAS 89305-16-8) is a chemical compound with molecular formula C13H16N4O4 and molecular weight 292.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,4-dinitrophenyl)-N'-methyl-N'-prop-2-ynylpropane-1,3-diamine
Also Known As: Dinitranyl, 1,3-Propanediamine, N'-(2,4-dinitrophenyl)-N-methyl-N-2-propynyl-, N-(2,4-dinitrophenyl)-N'-methyl-N'-prop-2-ynylpropane-1,3-diamine, n'-(2,4-dinitrophenyl)-n-methyl-n-(prop-2-yn-1-yl)propane-1,3-diamine, N1-(2,4-dinitrophenyl)-N3-methyl-N3-(prop-2-yn-1-yl)propane-1,3-diamine
| Molecular Formula | C13H16N4O4 |
|---|---|
| Molecular Weight | 292.12 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 292.11716 |
| Heavy Atoms | 21 |
| Complexity | 409.0 |
Chemical Identifiers
| CAS Number | 89305-16-8 |
|---|---|
| SMILES | CN(CCCNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])CC#C |
| InChIKey | UPNZJMVYFNCDSO-UHFFFAOYSA-N |
Product Overview
Dinitranyl (CAS 89305-16-8), with molecular formula C13H16N4O4 and molecular weight 292.12 g/mol. IUPAC: N-(2,4-dinitrophenyl)-N'-methyl-N'-prop-2-ynylpropane-1,3-diamine.
Chemical Property Profile of Dinitranyl
Property Insights of Dinitranyl
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dinitranyl. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dinitranyl. Following Lipinski's Rule of Five, Dinitranyl 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 Dinitranyl?
The CAS number of Dinitranyl is 89305-16-8.
What is the molecular formula of Dinitranyl?
The molecular formula of Dinitranyl is C13H16N4O4.
What is the molecular weight of Dinitranyl?
The molecular weight of Dinitranyl is 292.12 g/mol.
Where can I buy Dinitranyl?
You can request a quote for Dinitranyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dinitranyl?
Yes, KEHONG BIO provides custom synthesis services for Dinitranyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.