Benz(a)anthracene-3,4-diol, 3,4-dihydro-7-nitro-, trans-
TL;DR: Benz(a)anthracene-3,4-diol, 3,4-dihydro-7-nitro-, trans- (CAS 106624-77-5) is a chemical compound with molecular formula C18H13NO4 and molecular weight 307.08447 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S,4S)-7-nitro-3,4-dihydrobenzo[a]anthracene-3,4-diol
Also Known As: 7-Nitro-3,4-dihydrotetraphene-3,4-diol, Benz(a)anthracene-3,4-diol, 3,4-dihydro-7-nitro-, trans-, 3,4-Dihydro-7-nitrobenz(a)anthracene-3,4-diol trans-, (3S,4S)-7-nitro-3,4-dihydrotetraphene-3,4-diol, (3S,4S)-7-nitro-3,4-dihydrobenzo[a]anthracene-3,4-diol
Technical Specifications
| Molecular Formula | C18H13NO4 |
| Molecular Weight | 307.08447 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 86.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 307.08447 Da |
| Heavy Atoms | 23 |
| Complexity | 502.0 |
| SMILES | C1=CC=C2C(=C1)C=C3C4=C(C=CC3=C2[N+](=O)[O-])[C@@H]([C@H](C=C4)O)O |
| InChIKey | HXVOYNIFZXGULL-WMZOPIPTSA-N |
Chemical Property Profile of Benz(a)anthracene-3,4-diol, 3,4-dihydro-7-nitro-, trans-
Property Insights of Benz(a)anthracene-3,4-diol, 3,4-dihydro-7-nitro-, trans-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benz(a)anthracene-3,4-diol, 3,4-dihydro-7-nitro-, trans-. The TPSA of 86.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Benz(a)anthracene-3,4-diol, 3,4-dihydro-7-nitro-, trans-. Following Lipinski's Rule of Five, Benz(a)anthracene-3,4-diol, 3,4-dihydro-7-nitro-, trans- 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 Benz(a)anthracene-3,4-diol, 3,4-dihydro-7-nitro-, trans-?
The CAS number of Benz(a)anthracene-3,4-diol, 3,4-dihydro-7-nitro-, trans- is 106624-77-5.
What is the molecular formula of Benz(a)anthracene-3,4-diol, 3,4-dihydro-7-nitro-, trans-?
The molecular formula of Benz(a)anthracene-3,4-diol, 3,4-dihydro-7-nitro-, trans- is C18H13NO4.
What is the molecular weight of Benz(a)anthracene-3,4-diol, 3,4-dihydro-7-nitro-, trans-?
The molecular weight of Benz(a)anthracene-3,4-diol, 3,4-dihydro-7-nitro-, trans- is 307.08447 g/mol.
Where can I buy Benz(a)anthracene-3,4-diol, 3,4-dihydro-7-nitro-, trans-?
You can request a quote for Benz(a)anthracene-3,4-diol, 3,4-dihydro-7-nitro-, trans- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benz(a)anthracene-3,4-diol, 3,4-dihydro-7-nitro-, trans-?
Yes, CoreyChem provides custom synthesis services for Benz(a)anthracene-3,4-diol, 3,4-dihydro-7-nitro-, trans- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.