![2-chloro-5-nitro-N-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]benzamide structure](/static/products/896/896353-46-1.png)
2-chloro-5-nitro-N-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]benzamide
TL;DR: 2-chloro-5-nitro-N-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]benzamide (CAS 896353-46-1) is a chemical compound with molecular formula C16H11ClN4O4 and molecular weight 358.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-5-nitro-N-[(4-oxo-3H-phthalazin-1-yl)methyl]benzamide
Also Known As: 2-chloro-5-nitro-N-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]benzamide, 2-chloro-5-nitro-N-[(4-oxo-3H-phthalazin-1-yl)methyl]benzamide, F2758-0075, 2-chloro-5-nitro-N-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzamide
| Molecular Formula | C16H11ClN4O4 |
|---|---|
| Molecular Weight | 358.05 g/mol |
| LogP | 2.4147 |
| Topological Polar Surface Area | 117.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 358.04688 |
| Heavy Atoms | 25 |
| Complexity | 1047.7294 |
Chemical Identifiers
| CAS Number | 896353-46-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=NNC2=O)CNC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl |
Product Overview
2-chloro-5-nitro-N-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]benzamide (CAS 896353-46-1), with molecular formula C16H11ClN4O4 and molecular weight 358.05 g/mol. IUPAC: 2-chloro-5-nitro-N-[(4-oxo-3H-phthalazin-1-yl)methyl]benzamide.
Chemical Property Profile of 2-chloro-5-nitro-N-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]benzamide
Property Insights of 2-chloro-5-nitro-N-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]benzamide
The XLogP value of 2.4147 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-chloro-5-nitro-N-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]benzamide. The TPSA of 117.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-chloro-5-nitro-N-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]benzamide. Following Lipinski's Rule of Five, 2-chloro-5-nitro-N-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]benzamide has 2 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 2-chloro-5-nitro-N-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]benzamide?
The CAS number of 2-chloro-5-nitro-N-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]benzamide is 896353-46-1.
What is the molecular formula of 2-chloro-5-nitro-N-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]benzamide?
The molecular formula of 2-chloro-5-nitro-N-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]benzamide is C16H11ClN4O4.
What is the molecular weight of 2-chloro-5-nitro-N-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]benzamide?
The molecular weight of 2-chloro-5-nitro-N-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]benzamide is 358.05 g/mol.
Where can I buy 2-chloro-5-nitro-N-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]benzamide?
You can request a quote for 2-chloro-5-nitro-N-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-5-nitro-N-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-5-nitro-N-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.