Acenaphthene, 3,6-dinitro-
TL;DR: Acenaphthene, 3,6-dinitro- (CAS 3807-76-9) 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.
3,6-dinitro-1,2-dihydroacenaphthylene
Also Known As: Acenaphthene, 3,6-dinitro-, 3,6-dinitroacenaphthene, Acenaphthene,6-dinitro-, 3,6-dinitro-1,2-dihydroacenaphthylene, Acenaphthene, 3,6-dinitro- (8CI)
| Molecular Formula | C12H8N2O4 |
|---|---|
| Molecular Weight | 244.05 g/mol |
| LogP | 3.7 |
| 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 | 375.0 |
Chemical Identifiers
| CAS Number | 3807-76-9 |
|---|---|
| SMILES | C1CC2=C(C=CC3=C(C=CC1=C23)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | WFTCCZBXYNRNNA-UHFFFAOYSA-N |
Product Overview
Acenaphthene, 3,6-dinitro- (CAS 3807-76-9), with molecular formula C12H8N2O4 and molecular weight 244.05 g/mol. IUPAC: 3,6-dinitro-1,2-dihydroacenaphthylene.
Chemical Property Profile of Acenaphthene, 3,6-dinitro-
Property Insights of Acenaphthene, 3,6-dinitro-
The XLogP value of 3.7 indicates that Acenaphthene, 3,6-dinitro- 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 Acenaphthene, 3,6-dinitro-. Following Lipinski's Rule of Five, Acenaphthene, 3,6-dinitro- 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 Acenaphthene, 3,6-dinitro-?
The CAS number of Acenaphthene, 3,6-dinitro- is 3807-76-9.
What is the molecular formula of Acenaphthene, 3,6-dinitro-?
The molecular formula of Acenaphthene, 3,6-dinitro- is C12H8N2O4.
What is the molecular weight of Acenaphthene, 3,6-dinitro-?
The molecular weight of Acenaphthene, 3,6-dinitro- is 244.05 g/mol.
Where can I buy Acenaphthene, 3,6-dinitro-?
You can request a quote for Acenaphthene, 3,6-dinitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acenaphthene, 3,6-dinitro-?
Yes, KEHONG BIO provides custom synthesis services for Acenaphthene, 3,6-dinitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.