![2-hydroxy-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3,5-di(propan-2-yl)benzamide structure](/static/products/445/445246-42-4.png)
2-hydroxy-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3,5-di(propan-2-yl)benzamide
TL;DR: 2-hydroxy-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3,5-di(propan-2-yl)benzamide (CAS 445246-42-4) is a chemical compound with molecular formula C21H23N3O6 and molecular weight 413.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3,5-di(propan-2-yl)benzamide
Also Known As: 2-hydroxy-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3,5-di(propan-2-yl)benzamide, 2-hydroxy-N'-({6-nitro-1,3-benzodioxol-5-yl}methylene)-3,5-diisopropylbenzohydrazide, 2-hydroxy-N'-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylidene]-3,5-di(propan-2-yl)benzohydrazide, N-[(1E)-2-(6-nitro(2H-benzo[d]1,3-dioxolen-5-yl))-1-azavinyl][3,5-bis(methylet hyl)-2-hydroxyphenyl]carboxamide
| Molecular Formula | C21H23N3O6 |
|---|---|
| Molecular Weight | 413.16 g/mol |
| LogP | 4.0398 |
| Topological Polar Surface Area | 123.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 413.1587 |
| Heavy Atoms | 30 |
| Complexity | 1029.8872 |
Chemical Identifiers
| CAS Number | 445246-42-4 |
|---|---|
| SMILES | CC(C)C1=CC(=C(C(=C1)C(=O)N/N=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3)O)C(C)C |
Product Overview
2-hydroxy-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3,5-di(propan-2-yl)benzamide (CAS 445246-42-4), with molecular formula C21H23N3O6 and molecular weight 413.16 g/mol. IUPAC: 2-hydroxy-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3,5-di(propan-2-yl)benzamide.
Chemical Property Profile of 2-hydroxy-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3,5-di(propan-2-yl)benzamide
Property Insights of 2-hydroxy-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3,5-di(propan-2-yl)benzamide
The XLogP value of 4.0398 indicates that 2-hydroxy-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3,5-di(propan-2-yl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-hydroxy-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3,5-di(propan-2-yl)benzamide. Following Lipinski's Rule of Five, 2-hydroxy-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3,5-di(propan-2-yl)benzamide has 2 hydrogen bond donor(s) and 7 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 2-hydroxy-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3,5-di(propan-2-yl)benzamide?
The CAS number of 2-hydroxy-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3,5-di(propan-2-yl)benzamide is 445246-42-4.
What is the molecular formula of 2-hydroxy-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3,5-di(propan-2-yl)benzamide?
The molecular formula of 2-hydroxy-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3,5-di(propan-2-yl)benzamide is C21H23N3O6.
What is the molecular weight of 2-hydroxy-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3,5-di(propan-2-yl)benzamide?
The molecular weight of 2-hydroxy-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3,5-di(propan-2-yl)benzamide is 413.16 g/mol.
Where can I buy 2-hydroxy-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3,5-di(propan-2-yl)benzamide?
You can request a quote for 2-hydroxy-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3,5-di(propan-2-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-hydroxy-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3,5-di(propan-2-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-hydroxy-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3,5-di(propan-2-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.