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Methyl 4-[(2,4-dinitrophenyl)hydrazinylidene]hexanoate
TL;DR: Methyl 4-[(2,4-dinitrophenyl)hydrazinylidene]hexanoate (CAS 17745-31-2) is a chemical compound with molecular formula C13H16N4O6 and molecular weight 324.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(2,4-dinitrophenyl)hydrazinylidene]hexanoate
Also Known As: methyl 4-[(2,4-dinitrophenyl)hydrazinylidene]hexanoate, methyl (4Z)-4-[(2,4-dinitrophenyl)hydrazinylidene]hexanoate
| Molecular Formula | C13H16N4O6 |
|---|---|
| Molecular Weight | 324.11 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 142.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 324.107 |
| Heavy Atoms | 23 |
| Complexity | 470.0 |
Chemical Identifiers
| CAS Number | 17745-31-2 |
|---|---|
| SMILES | CCC(=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])CCC(=O)OC |
| InChIKey | IAKXCBPUUWCLPX-UHFFFAOYSA-N |
Product Overview
Methyl 4-[(2,4-dinitrophenyl)hydrazinylidene]hexanoate (CAS 17745-31-2), with molecular formula C13H16N4O6 and molecular weight 324.11 g/mol. IUPAC: methyl 4-[(2,4-dinitrophenyl)hydrazinylidene]hexanoate.
Chemical Property Profile of Methyl 4-[(2,4-dinitrophenyl)hydrazinylidene]hexanoate
Property Insights of Methyl 4-[(2,4-dinitrophenyl)hydrazinylidene]hexanoate
The XLogP value of 3.3 indicates that Methyl 4-[(2,4-dinitrophenyl)hydrazinylidene]hexanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.0 Ų indicates high polarity, suggesting Methyl 4-[(2,4-dinitrophenyl)hydrazinylidene]hexanoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methyl 4-[(2,4-dinitrophenyl)hydrazinylidene]hexanoate has 1 hydrogen bond donor(s) and 8 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 Methyl 4-[(2,4-dinitrophenyl)hydrazinylidene]hexanoate?
The CAS number of Methyl 4-[(2,4-dinitrophenyl)hydrazinylidene]hexanoate is 17745-31-2.
What is the molecular formula of Methyl 4-[(2,4-dinitrophenyl)hydrazinylidene]hexanoate?
The molecular formula of Methyl 4-[(2,4-dinitrophenyl)hydrazinylidene]hexanoate is C13H16N4O6.
What is the molecular weight of Methyl 4-[(2,4-dinitrophenyl)hydrazinylidene]hexanoate?
The molecular weight of Methyl 4-[(2,4-dinitrophenyl)hydrazinylidene]hexanoate is 324.11 g/mol.
Where can I buy Methyl 4-[(2,4-dinitrophenyl)hydrazinylidene]hexanoate?
You can request a quote for Methyl 4-[(2,4-dinitrophenyl)hydrazinylidene]hexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-[(2,4-dinitrophenyl)hydrazinylidene]hexanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[(2,4-dinitrophenyl)hydrazinylidene]hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.