N-{1,8-bisnitro-2-naphthyl}acetamide
TL;DR: N-{1,8-bisnitro-2-naphthyl}acetamide (CAS 64574-27-2) is a chemical compound with molecular formula C12H9N3O5 and molecular weight 275.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,8-dinitronaphthalen-2-yl)acetamide
Also Known As: N-{1,8-bisnitro-2-naphthyl}acetamide, N-(1,8-dinitronaphthalen-2-yl)acetamide, AE-562/12222095
| Molecular Formula | C12H9N3O5 |
|---|---|
| Molecular Weight | 275.05 g/mol |
| LogP | 2.6146 |
| Topological Polar Surface Area | 115.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 275.05423 |
| Heavy Atoms | 20 |
| Complexity | 741.1954 |
Chemical Identifiers
| CAS Number | 64574-27-2 |
|---|---|
| SMILES | CC(=O)NC1=C(C2=C(C=CC=C2[N+](=O)[O-])C=C1)[N+](=O)[O-] |
Product Overview
N-{1,8-bisnitro-2-naphthyl}acetamide (CAS 64574-27-2), with molecular formula C12H9N3O5 and molecular weight 275.05 g/mol. IUPAC: N-(1,8-dinitronaphthalen-2-yl)acetamide.
Chemical Property Profile of N-{1,8-bisnitro-2-naphthyl}acetamide
Property Insights of N-{1,8-bisnitro-2-naphthyl}acetamide
The XLogP value of 2.6146 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-{1,8-bisnitro-2-naphthyl}acetamide. The TPSA of 115.38 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{1,8-bisnitro-2-naphthyl}acetamide. Following Lipinski's Rule of Five, N-{1,8-bisnitro-2-naphthyl}acetamide 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-{1,8-bisnitro-2-naphthyl}acetamide?
The CAS number of N-{1,8-bisnitro-2-naphthyl}acetamide is 64574-27-2.
What is the molecular formula of N-{1,8-bisnitro-2-naphthyl}acetamide?
The molecular formula of N-{1,8-bisnitro-2-naphthyl}acetamide is C12H9N3O5.
What is the molecular weight of N-{1,8-bisnitro-2-naphthyl}acetamide?
The molecular weight of N-{1,8-bisnitro-2-naphthyl}acetamide is 275.05 g/mol.
Where can I buy N-{1,8-bisnitro-2-naphthyl}acetamide?
You can request a quote for N-{1,8-bisnitro-2-naphthyl}acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{1,8-bisnitro-2-naphthyl}acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-{1,8-bisnitro-2-naphthyl}acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.