2-Nitroanthracene 7-keto-5,6,7,8-tetrahydro-trans-5,6-diol
TL;DR: 2-Nitroanthracene 7-keto-5,6,7,8-tetrahydro-trans-5,6-diol (CAS 109897-80-5) is a chemical compound with molecular formula C14H11NO5 and molecular weight 273.06372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3R,4S)-3,4-dihydroxy-7-nitro-3,4-dihydro-1H-anthracen-2-one
Also Known As: 2-Nitroanthracene 7-keto-5,6,7,8-tetrahydro-trans-5,6-diol, 2-Nitroanthracene 7-keto-5,6,7,8-tetrahydro-5,6-diol, trans-, (3R,4S)-3,4-dihydroxy-7-nitro-3,4-dihydro-1H-anthracen-2-one, trans-2-nitroanthracene 7-keto-5,6,7,8-tetrahydro-5,6-diol, (3R,4S)-3,4-Dihydroxy-7-nitro-3,4-dihydroanthracen-2(1H)-one
Technical Specifications
| Molecular Formula | C14H11NO5 |
| Molecular Weight | 273.06372 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 273.06372 Da |
| Heavy Atoms | 20 |
| Complexity | 420.0 |
| SMILES | C1C2=C(C=C3C=CC(=CC3=C2)[N+](=O)[O-])[C@@H]([C@H](C1=O)O)O |
| InChIKey | JADYKDUQDFUWCA-KBPBESRZSA-N |
Chemical Property Profile of 2-Nitroanthracene 7-keto-5,6,7,8-tetrahydro-trans-5,6-diol
Property Insights of 2-Nitroanthracene 7-keto-5,6,7,8-tetrahydro-trans-5,6-diol
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Nitroanthracene 7-keto-5,6,7,8-tetrahydro-trans-5,6-diol. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitroanthracene 7-keto-5,6,7,8-tetrahydro-trans-5,6-diol. Following Lipinski's Rule of Five, 2-Nitroanthracene 7-keto-5,6,7,8-tetrahydro-trans-5,6-diol has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Nitroanthracene 7-keto-5,6,7,8-tetrahydro-trans-5,6-diol?
The CAS number of 2-Nitroanthracene 7-keto-5,6,7,8-tetrahydro-trans-5,6-diol is 109897-80-5.
What is the molecular formula of 2-Nitroanthracene 7-keto-5,6,7,8-tetrahydro-trans-5,6-diol?
The molecular formula of 2-Nitroanthracene 7-keto-5,6,7,8-tetrahydro-trans-5,6-diol is C14H11NO5.
What is the molecular weight of 2-Nitroanthracene 7-keto-5,6,7,8-tetrahydro-trans-5,6-diol?
The molecular weight of 2-Nitroanthracene 7-keto-5,6,7,8-tetrahydro-trans-5,6-diol is 273.06372 g/mol.
Where can I buy 2-Nitroanthracene 7-keto-5,6,7,8-tetrahydro-trans-5,6-diol?
You can request a quote for 2-Nitroanthracene 7-keto-5,6,7,8-tetrahydro-trans-5,6-diol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Nitroanthracene 7-keto-5,6,7,8-tetrahydro-trans-5,6-diol?
Yes, CoreyChem provides custom synthesis services for 2-Nitroanthracene 7-keto-5,6,7,8-tetrahydro-trans-5,6-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.