![Benzoic acid,2-[(6-nitro-1,3-benzodioxol-5-YL)methylene]hydrazide structure](/static/products/5827/58276-89-4.webp)
Benzoic acid,2-[(6-nitro-1,3-benzodioxol-5-YL)methylene]hydrazide
TL;DR: Benzoic acid,2-[(6-nitro-1,3-benzodioxol-5-YL)methylene]hydrazide (CAS 58276-89-4) is a chemical compound with molecular formula C15H11N3O5 and molecular weight 313.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]benzamide
Also Known As: N-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]benzamide, BENZOIC ACID,2-[(6-NITRO-1,3-BENZODIOXOL-5-YL)METHYLENE]HYDRAZIDE
| Molecular Formula | C15H11N3O5 |
|---|---|
| Molecular Weight | 313.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 313.0699 |
| Heavy Atoms | 23 |
| Complexity | 472.0 |
Chemical Identifiers
| CAS Number | 58276-89-4 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C(=C2)C=NNC(=O)C3=CC=CC=C3)[N+](=O)[O-] |
| InChIKey | MBWIEVLZPLWMHG-UHFFFAOYSA-N |
Product Overview
Benzoic acid,2-[(6-nitro-1,3-benzodioxol-5-YL)methylene]hydrazide (CAS 58276-89-4), with molecular formula C15H11N3O5 and molecular weight 313.07 g/mol. IUPAC: N-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]benzamide.
Chemical Property Profile of Benzoic acid,2-[(6-nitro-1,3-benzodioxol-5-YL)methylene]hydrazide
Property Insights of Benzoic acid,2-[(6-nitro-1,3-benzodioxol-5-YL)methylene]hydrazide
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid,2-[(6-nitro-1,3-benzodioxol-5-YL)methylene]hydrazide. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid,2-[(6-nitro-1,3-benzodioxol-5-YL)methylene]hydrazide. Following Lipinski's Rule of Five, Benzoic acid,2-[(6-nitro-1,3-benzodioxol-5-YL)methylene]hydrazide 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 Benzoic acid,2-[(6-nitro-1,3-benzodioxol-5-YL)methylene]hydrazide?
The CAS number of Benzoic acid,2-[(6-nitro-1,3-benzodioxol-5-YL)methylene]hydrazide is 58276-89-4.
What is the molecular formula of Benzoic acid,2-[(6-nitro-1,3-benzodioxol-5-YL)methylene]hydrazide?
The molecular formula of Benzoic acid,2-[(6-nitro-1,3-benzodioxol-5-YL)methylene]hydrazide is C15H11N3O5.
What is the molecular weight of Benzoic acid,2-[(6-nitro-1,3-benzodioxol-5-YL)methylene]hydrazide?
The molecular weight of Benzoic acid,2-[(6-nitro-1,3-benzodioxol-5-YL)methylene]hydrazide is 313.07 g/mol.
Where can I buy Benzoic acid,2-[(6-nitro-1,3-benzodioxol-5-YL)methylene]hydrazide?
You can request a quote for Benzoic acid,2-[(6-nitro-1,3-benzodioxol-5-YL)methylene]hydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid,2-[(6-nitro-1,3-benzodioxol-5-YL)methylene]hydrazide?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid,2-[(6-nitro-1,3-benzodioxol-5-YL)methylene]hydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.