cis-1,2-Dihydroxy-5-nitroacenaphthene
TL;DR: cis-1,2-Dihydroxy-5-nitroacenaphthene (CAS 81860-13-1) is a chemical compound with molecular formula C12H9NO4 and molecular weight 231.05316 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1R,2R)-5-nitro-1,2-dihydroacenaphthylene-1,2-diol
Also Known As: 5-Nitro-1,2-acenaphthenediol, cis-1,2-Dihydroxy-5-nitroacenaphthene, cis-1,2-Dihydro-5-nitro-1,2-acenaphthylenediol, 1,2-ACENAPHTHENEDIOL, 5-NITRO-, (Z)-, 1,2-Acenaphthylenediol, 1,2-dihydro-5-nitro-, cis-
Technical Specifications
| Molecular Formula | C12H9NO4 |
| Molecular Weight | 231.05316 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 86.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 231.05316 Da |
| Heavy Atoms | 17 |
| Complexity | 329.0 |
| SMILES | C1=CC2=C(C=CC3=C2C(=C1)[C@H]([C@@H]3O)O)[N+](=O)[O-] |
| InChIKey | AIIMUSMFVRLCSQ-VXGBXAGGSA-N |
Chemical Property Profile of cis-1,2-Dihydroxy-5-nitroacenaphthene
Property Insights of cis-1,2-Dihydroxy-5-nitroacenaphthene
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for cis-1,2-Dihydroxy-5-nitroacenaphthene. The TPSA of 86.3 Ų falls within the moderate polarity range, balancing permeability and solubility for cis-1,2-Dihydroxy-5-nitroacenaphthene. Following Lipinski's Rule of Five, cis-1,2-Dihydroxy-5-nitroacenaphthene has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of cis-1,2-Dihydroxy-5-nitroacenaphthene?
The CAS number of cis-1,2-Dihydroxy-5-nitroacenaphthene is 81860-13-1.
What is the molecular formula of cis-1,2-Dihydroxy-5-nitroacenaphthene?
The molecular formula of cis-1,2-Dihydroxy-5-nitroacenaphthene is C12H9NO4.
What is the molecular weight of cis-1,2-Dihydroxy-5-nitroacenaphthene?
The molecular weight of cis-1,2-Dihydroxy-5-nitroacenaphthene is 231.05316 g/mol.
Where can I buy cis-1,2-Dihydroxy-5-nitroacenaphthene?
You can request a quote for cis-1,2-Dihydroxy-5-nitroacenaphthene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for cis-1,2-Dihydroxy-5-nitroacenaphthene?
Yes, CoreyChem provides custom synthesis services for cis-1,2-Dihydroxy-5-nitroacenaphthene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.