(1S,2S)-7-nitro-1,2,8a,10a-tetrahydroanthracene-1,2-diol
TL;DR: (1S,2S)-7-nitro-1,2,8a,10a-tetrahydroanthracene-1,2-diol (CAS 109897-78-1) is a chemical compound with molecular formula C14H13NO4 and molecular weight 259.08447 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S,2S)-7-nitro-1,2,8a,10a-tetrahydroanthracene-1,2-diol
Also Known As: 2-Nitroanthracene trans 7,8-dihydrodiol, 7-Nitro-1,2,8a,10a-tetrahydroanthracene-1,2-diol, (1S,2S)-7-nitro-1,2,8a,10a-tetrahydroanthracene-1,2-diol
Technical Specifications
| Molecular Formula | C14H13NO4 |
| Molecular Weight | 259.08447 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 86.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 259.08447 Da |
| Heavy Atoms | 19 |
| Complexity | 577.0 |
| SMILES | C1=CC2=CC3C=CC(=CC3C=C2[C@@H]([C@H]1O)O)[N+](=O)[O-] |
| InChIKey | IPDYNDMDSXESDL-IGPXNYDSSA-N |
Chemical Property Profile of (1S,2S)-7-nitro-1,2,8a,10a-tetrahydroanthracene-1,2-diol
Property Insights of (1S,2S)-7-nitro-1,2,8a,10a-tetrahydroanthracene-1,2-diol
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1S,2S)-7-nitro-1,2,8a,10a-tetrahydroanthracene-1,2-diol. The TPSA of 86.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (1S,2S)-7-nitro-1,2,8a,10a-tetrahydroanthracene-1,2-diol. Following Lipinski's Rule of Five, (1S,2S)-7-nitro-1,2,8a,10a-tetrahydroanthracene-1,2-diol 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 (1S,2S)-7-nitro-1,2,8a,10a-tetrahydroanthracene-1,2-diol?
The CAS number of (1S,2S)-7-nitro-1,2,8a,10a-tetrahydroanthracene-1,2-diol is 109897-78-1.
What is the molecular formula of (1S,2S)-7-nitro-1,2,8a,10a-tetrahydroanthracene-1,2-diol?
The molecular formula of (1S,2S)-7-nitro-1,2,8a,10a-tetrahydroanthracene-1,2-diol is C14H13NO4.
What is the molecular weight of (1S,2S)-7-nitro-1,2,8a,10a-tetrahydroanthracene-1,2-diol?
The molecular weight of (1S,2S)-7-nitro-1,2,8a,10a-tetrahydroanthracene-1,2-diol is 259.08447 g/mol.
Where can I buy (1S,2S)-7-nitro-1,2,8a,10a-tetrahydroanthracene-1,2-diol?
You can request a quote for (1S,2S)-7-nitro-1,2,8a,10a-tetrahydroanthracene-1,2-diol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (1S,2S)-7-nitro-1,2,8a,10a-tetrahydroanthracene-1,2-diol?
Yes, CoreyChem provides custom synthesis services for (1S,2S)-7-nitro-1,2,8a,10a-tetrahydroanthracene-1,2-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.