4-nitro-N-(7-nitro-6-oxoheptyl)benzamide
TL;DR: 4-nitro-N-(7-nitro-6-oxoheptyl)benzamide (CAS 379726-96-2) is a chemical compound with molecular formula C14H17N3O6 and molecular weight 323.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-N-(7-nitro-6-oxoheptyl)benzamide
Also Known As: 4-nitro-N-(7-nitro-6-oxoheptyl)benzamide, 1-Nitro-7-(4-nitrobenzoylamino)-2-heptanone, J1.986.238K
| Molecular Formula | C14H17N3O6 |
|---|---|
| Molecular Weight | 323.11 g/mol |
| LogP | 1.7308 |
| Topological Polar Surface Area | 132.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 323.11172 |
| Heavy Atoms | 23 |
| Complexity | 584.68036 |
Chemical Identifiers
| CAS Number | 379726-96-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)NCCCCCC(=O)C[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
4-nitro-N-(7-nitro-6-oxoheptyl)benzamide (CAS 379726-96-2), with molecular formula C14H17N3O6 and molecular weight 323.11 g/mol. IUPAC: 4-nitro-N-(7-nitro-6-oxoheptyl)benzamide.
Chemical Property Profile of 4-nitro-N-(7-nitro-6-oxoheptyl)benzamide
Property Insights of 4-nitro-N-(7-nitro-6-oxoheptyl)benzamide
The XLogP value of 1.7308 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-nitro-N-(7-nitro-6-oxoheptyl)benzamide. The TPSA of 132.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-nitro-N-(7-nitro-6-oxoheptyl)benzamide. Following Lipinski's Rule of Five, 4-nitro-N-(7-nitro-6-oxoheptyl)benzamide 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 4-nitro-N-(7-nitro-6-oxoheptyl)benzamide?
The CAS number of 4-nitro-N-(7-nitro-6-oxoheptyl)benzamide is 379726-96-2.
What is the molecular formula of 4-nitro-N-(7-nitro-6-oxoheptyl)benzamide?
The molecular formula of 4-nitro-N-(7-nitro-6-oxoheptyl)benzamide is C14H17N3O6.
What is the molecular weight of 4-nitro-N-(7-nitro-6-oxoheptyl)benzamide?
The molecular weight of 4-nitro-N-(7-nitro-6-oxoheptyl)benzamide is 323.11 g/mol.
Where can I buy 4-nitro-N-(7-nitro-6-oxoheptyl)benzamide?
You can request a quote for 4-nitro-N-(7-nitro-6-oxoheptyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-nitro-N-(7-nitro-6-oxoheptyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-nitro-N-(7-nitro-6-oxoheptyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.