5-Chloro-4-nitro-1,2-dihydroacenaphthylene
TL;DR: 5-Chloro-4-nitro-1,2-dihydroacenaphthylene (CAS 104036-78-4) is a chemical compound with molecular formula C12H8ClNO2 and molecular weight 233.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-4-nitro-1,2-dihydroacenaphthylene
Also Known As: 5-chloro-4-nitro-1,2-dihydroacenaphthylene, 5-chloro-4-nitroacenaphthene, 5-Chloro-1,2-dihydro-4-nitroacenaphthylene, AQ-344/43099973
| Molecular Formula | C12H8ClNO2 |
|---|---|
| Molecular Weight | 233.02 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 233.02435 |
| Heavy Atoms | 16 |
| Complexity | 621.9351 |
Chemical Identifiers
| CAS Number | 104036-78-4 |
|---|---|
| SMILES | C1CC2=CC(=C(C3=CC=CC1=C23)Cl)[N+](=O)[O-] |
Product Overview
5-Chloro-4-nitro-1,2-dihydroacenaphthylene (CAS 104036-78-4), with molecular formula C12H8ClNO2 and molecular weight 233.02 g/mol. IUPAC: 5-chloro-4-nitro-1,2-dihydroacenaphthylene.
Chemical Property Profile of 5-Chloro-4-nitro-1,2-dihydroacenaphthylene
Property Insights of 5-Chloro-4-nitro-1,2-dihydroacenaphthylene
The XLogP value of 3.5 indicates that 5-Chloro-4-nitro-1,2-dihydroacenaphthylene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.14 Ų, 5-Chloro-4-nitro-1,2-dihydroacenaphthylene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-4-nitro-1,2-dihydroacenaphthylene has 0 hydrogen bond donor(s) and 2 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 5-Chloro-4-nitro-1,2-dihydroacenaphthylene?
The CAS number of 5-Chloro-4-nitro-1,2-dihydroacenaphthylene is 104036-78-4.
What is the molecular formula of 5-Chloro-4-nitro-1,2-dihydroacenaphthylene?
The molecular formula of 5-Chloro-4-nitro-1,2-dihydroacenaphthylene is C12H8ClNO2.
What is the molecular weight of 5-Chloro-4-nitro-1,2-dihydroacenaphthylene?
The molecular weight of 5-Chloro-4-nitro-1,2-dihydroacenaphthylene is 233.02 g/mol.
Where can I buy 5-Chloro-4-nitro-1,2-dihydroacenaphthylene?
You can request a quote for 5-Chloro-4-nitro-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 5-Chloro-4-nitro-1,2-dihydroacenaphthylene?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-4-nitro-1,2-dihydroacenaphthylene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.