N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-4-nitrobenzamide
TL;DR: N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-4-nitrobenzamide (CAS 7595-96-2) is a chemical compound with molecular formula C15H10N4O5 and molecular weight 326.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-4-nitrobenzamide
Also Known As: N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-4-nitrobenzamide, N-(1,4-diketo-2,3-dihydrophthalazin-5-yl)-4-nitro-benzamide, N-(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-5-yl)-4-nitrobenzamide, N-[1,4-bis(oxidanylidene)-2,3-dihydrophthalazin-5-yl]-4-nitro-benzamide
| Molecular Formula | C15H10N4O5 |
|---|---|
| Molecular Weight | 326.07 g/mol |
| LogP | 1.3769 |
| Topological Polar Surface Area | 137.96 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 326.06512 |
| Heavy Atoms | 24 |
| Complexity | 1065.6549 |
Chemical Identifiers
| CAS Number | 7595-96-2 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)NNC2=O |
Product Overview
N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-4-nitrobenzamide (CAS 7595-96-2), with molecular formula C15H10N4O5 and molecular weight 326.07 g/mol. IUPAC: N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-4-nitrobenzamide.
Chemical Property Profile of N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-4-nitrobenzamide
Property Insights of N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-4-nitrobenzamide
The XLogP value of 1.3769 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-4-nitrobenzamide. The TPSA of 137.96 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-4-nitrobenzamide. Following Lipinski's Rule of Five, N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-4-nitrobenzamide has 3 hydrogen bond donor(s) and 5 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-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-4-nitrobenzamide?
The CAS number of N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-4-nitrobenzamide is 7595-96-2.
What is the molecular formula of N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-4-nitrobenzamide?
The molecular formula of N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-4-nitrobenzamide is C15H10N4O5.
What is the molecular weight of N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-4-nitrobenzamide?
The molecular weight of N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-4-nitrobenzamide is 326.07 g/mol.
Where can I buy N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-4-nitrobenzamide?
You can request a quote for N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-4-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.