N-(1,2-dihydroacenaphthylen-5-yl)-4-methyl-3,5-dinitrobenzamide
TL;DR: N-(1,2-dihydroacenaphthylen-5-yl)-4-methyl-3,5-dinitrobenzamide (CAS 331249-68-4) is a chemical compound with molecular formula C20H15N3O5 and molecular weight 377.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,2-dihydroacenaphthylen-5-yl)-4-methyl-3,5-dinitrobenzamide
Also Known As: BAS 00349734, N-Acenaphthen-5-yl-4-methyl-3,5-dinitro-benzamide, N-(1,2-dihydroacenaphthylen-5-yl)-4-methyl-3,5-dinitrobenzamide, N-(1,2-dihydro-5-acenaphthylenyl)-3,5-bisnitro-4-methylbenzamide
| Molecular Formula | C20H15N3O5 |
|---|---|
| Molecular Weight | 377.10 g/mol |
| LogP | 4.31552 |
| Topological Polar Surface Area | 115.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 377.10117 |
| Heavy Atoms | 28 |
| Complexity | 1140.665 |
Chemical Identifiers
| CAS Number | 331249-68-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)NC2=CC=C3CCC4=C3C2=CC=C4)[N+](=O)[O-] |
Product Overview
N-(1,2-dihydroacenaphthylen-5-yl)-4-methyl-3,5-dinitrobenzamide (CAS 331249-68-4), with molecular formula C20H15N3O5 and molecular weight 377.10 g/mol. IUPAC: N-(1,2-dihydroacenaphthylen-5-yl)-4-methyl-3,5-dinitrobenzamide.
Chemical Property Profile of N-(1,2-dihydroacenaphthylen-5-yl)-4-methyl-3,5-dinitrobenzamide
Property Insights of N-(1,2-dihydroacenaphthylen-5-yl)-4-methyl-3,5-dinitrobenzamide
The XLogP value of 4.31552 indicates that N-(1,2-dihydroacenaphthylen-5-yl)-4-methyl-3,5-dinitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.38 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,2-dihydroacenaphthylen-5-yl)-4-methyl-3,5-dinitrobenzamide. Following Lipinski's Rule of Five, N-(1,2-dihydroacenaphthylen-5-yl)-4-methyl-3,5-dinitrobenzamide has 1 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-(1,2-dihydroacenaphthylen-5-yl)-4-methyl-3,5-dinitrobenzamide?
The CAS number of N-(1,2-dihydroacenaphthylen-5-yl)-4-methyl-3,5-dinitrobenzamide is 331249-68-4.
What is the molecular formula of N-(1,2-dihydroacenaphthylen-5-yl)-4-methyl-3,5-dinitrobenzamide?
The molecular formula of N-(1,2-dihydroacenaphthylen-5-yl)-4-methyl-3,5-dinitrobenzamide is C20H15N3O5.
What is the molecular weight of N-(1,2-dihydroacenaphthylen-5-yl)-4-methyl-3,5-dinitrobenzamide?
The molecular weight of N-(1,2-dihydroacenaphthylen-5-yl)-4-methyl-3,5-dinitrobenzamide is 377.10 g/mol.
Where can I buy N-(1,2-dihydroacenaphthylen-5-yl)-4-methyl-3,5-dinitrobenzamide?
You can request a quote for N-(1,2-dihydroacenaphthylen-5-yl)-4-methyl-3,5-dinitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,2-dihydroacenaphthylen-5-yl)-4-methyl-3,5-dinitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,2-dihydroacenaphthylen-5-yl)-4-methyl-3,5-dinitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.