3,8-Dinitro-1,2-dihydroacenaphthylene
TL;DR: 3,8-Dinitro-1,2-dihydroacenaphthylene (CAS 35338-47-7) is a chemical compound with molecular formula C12H8N2O4 and molecular weight 244.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,8-dinitro-1,2-dihydroacenaphthylene
Also Known As: 3,8-Dinitro-1,2-dihydroacenaphthylene, 3,8-dinitroacenaphthene, 3,8-Dinitro-1-acenaphthene, 3,8-Dinitro-1,2-dihydroacenaphthylene #
| Molecular Formula | C12H8N2O4 |
|---|---|
| Molecular Weight | 244.05 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 244.0484 |
| Heavy Atoms | 18 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 35338-47-7 |
|---|---|
| SMILES | C1CC2=C(C=CC3=C2C1=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | YGJBWUMCFHVIDR-UHFFFAOYSA-N |
Product Overview
3,8-Dinitro-1,2-dihydroacenaphthylene (CAS 35338-47-7), with molecular formula C12H8N2O4 and molecular weight 244.05 g/mol. IUPAC: 3,8-dinitro-1,2-dihydroacenaphthylene.
Chemical Property Profile of 3,8-Dinitro-1,2-dihydroacenaphthylene
Property Insights of 3,8-Dinitro-1,2-dihydroacenaphthylene
The XLogP value of 3.1 indicates that 3,8-Dinitro-1,2-dihydroacenaphthylene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,8-Dinitro-1,2-dihydroacenaphthylene. Following Lipinski's Rule of Five, 3,8-Dinitro-1,2-dihydroacenaphthylene has 0 hydrogen bond donor(s) and 4 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 3,8-Dinitro-1,2-dihydroacenaphthylene?
The CAS number of 3,8-Dinitro-1,2-dihydroacenaphthylene is 35338-47-7.
What is the molecular formula of 3,8-Dinitro-1,2-dihydroacenaphthylene?
The molecular formula of 3,8-Dinitro-1,2-dihydroacenaphthylene is C12H8N2O4.
What is the molecular weight of 3,8-Dinitro-1,2-dihydroacenaphthylene?
The molecular weight of 3,8-Dinitro-1,2-dihydroacenaphthylene is 244.05 g/mol.
Where can I buy 3,8-Dinitro-1,2-dihydroacenaphthylene?
You can request a quote for 3,8-Dinitro-1,2-dihydroacenaphthylene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,8-Dinitro-1,2-dihydroacenaphthylene?
Yes, KEHONG BIO provides custom synthesis services for 3,8-Dinitro-1,2-dihydroacenaphthylene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.