N'-(3,7-dimethyl-2,6-octadienylidene)-2-nitrobenzohydrazide
TL;DR: N'-(3,7-dimethyl-2,6-octadienylidene)-2-nitrobenzohydrazide (CAS 314282-12-7) is a chemical compound with molecular formula C17H21N3O3 and molecular weight 315.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]-2-nitrobenzamide
Also Known As: N'-(3,7-dimethyl-2,6-octadienylidene)-2-nitrobenzohydrazide, AN-329/40150015, N-[(E)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]-2-nitrobenzamide, N'-[(1E,2E)-3,7-dimethylocta-2,6-dien-1-ylidene]-2-nitrobenzohydrazide, Benzhydrazide, N2-(3,7-dimethyl-2,5-octadienylidene)-2-nitro-
| Molecular Formula | C17H21N3O3 |
|---|---|
| Molecular Weight | 315.16 g/mol |
| LogP | 4.0031 |
| Topological Polar Surface Area | 84.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 315.1583 |
| Heavy Atoms | 23 |
| Complexity | 656.80237 |
Chemical Identifiers
| CAS Number | 314282-12-7 |
|---|---|
| SMILES | CC(=CCC/C(=C/C=N/NC(=O)C1=CC=CC=C1[N+](=O)[O-])/C)C |
Product Overview
N'-(3,7-dimethyl-2,6-octadienylidene)-2-nitrobenzohydrazide (CAS 314282-12-7), with molecular formula C17H21N3O3 and molecular weight 315.16 g/mol. IUPAC: N-[(E)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]-2-nitrobenzamide.
Chemical Property Profile of N'-(3,7-dimethyl-2,6-octadienylidene)-2-nitrobenzohydrazide
Property Insights of N'-(3,7-dimethyl-2,6-octadienylidene)-2-nitrobenzohydrazide
The XLogP value of 4.0031 indicates that N'-(3,7-dimethyl-2,6-octadienylidene)-2-nitrobenzohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N'-(3,7-dimethyl-2,6-octadienylidene)-2-nitrobenzohydrazide. Following Lipinski's Rule of Five, N'-(3,7-dimethyl-2,6-octadienylidene)-2-nitrobenzohydrazide has 1 hydrogen bond donor(s) and 4 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 N'-(3,7-dimethyl-2,6-octadienylidene)-2-nitrobenzohydrazide?
The CAS number of N'-(3,7-dimethyl-2,6-octadienylidene)-2-nitrobenzohydrazide is 314282-12-7.
What is the molecular formula of N'-(3,7-dimethyl-2,6-octadienylidene)-2-nitrobenzohydrazide?
The molecular formula of N'-(3,7-dimethyl-2,6-octadienylidene)-2-nitrobenzohydrazide is C17H21N3O3.
What is the molecular weight of N'-(3,7-dimethyl-2,6-octadienylidene)-2-nitrobenzohydrazide?
The molecular weight of N'-(3,7-dimethyl-2,6-octadienylidene)-2-nitrobenzohydrazide is 315.16 g/mol.
Where can I buy N'-(3,7-dimethyl-2,6-octadienylidene)-2-nitrobenzohydrazide?
You can request a quote for N'-(3,7-dimethyl-2,6-octadienylidene)-2-nitrobenzohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N'-(3,7-dimethyl-2,6-octadienylidene)-2-nitrobenzohydrazide?
Yes, KEHONG BIO provides custom synthesis services for N'-(3,7-dimethyl-2,6-octadienylidene)-2-nitrobenzohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.