trans-9,10-Dihydro-9,10-dihydroxy-6-nitrochrysene
TL;DR: trans-9,10-Dihydro-9,10-dihydroxy-6-nitrochrysene (CAS 117760-92-6) 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)-12-nitro-3,4-dihydrochrysene-3,4-diol
Also Known As: trans-9,10-Dihydro-9,10-dihydroxy-6-nitrochrysene, (3S,4S)-12-nitro-3,4-dihydrochrysene-3,4-diol, ETHYL 1-THIO-SS-D-GLUCURONIDE, 3,4-Chrysenediol, 3,4-dihydro-12-nitro-, trans-, 12-nitro-3,4-dihydrochrysene-3,4-diol
Technical Specifications
| Molecular Formula | C18H13NO4 |
| Molecular Weight | 307.08447 g/mol |
| XLogP | 3.1 |
| 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=CC3=C4[C@@H]([C@H](C=CC4=C(C=C32)[N+](=O)[O-])O)O |
| InChIKey | FIVHJEBACQSOKY-FUHWJXTLSA-N |
Chemical Property Profile of trans-9,10-Dihydro-9,10-dihydroxy-6-nitrochrysene
Property Insights of trans-9,10-Dihydro-9,10-dihydroxy-6-nitrochrysene
The XLogP value of 3.1 indicates that trans-9,10-Dihydro-9,10-dihydroxy-6-nitrochrysene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.3 Ų falls within the moderate polarity range, balancing permeability and solubility for trans-9,10-Dihydro-9,10-dihydroxy-6-nitrochrysene. Following Lipinski's Rule of Five, trans-9,10-Dihydro-9,10-dihydroxy-6-nitrochrysene 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 trans-9,10-Dihydro-9,10-dihydroxy-6-nitrochrysene?
The CAS number of trans-9,10-Dihydro-9,10-dihydroxy-6-nitrochrysene is 117760-92-6.
What is the molecular formula of trans-9,10-Dihydro-9,10-dihydroxy-6-nitrochrysene?
The molecular formula of trans-9,10-Dihydro-9,10-dihydroxy-6-nitrochrysene is C18H13NO4.
What is the molecular weight of trans-9,10-Dihydro-9,10-dihydroxy-6-nitrochrysene?
The molecular weight of trans-9,10-Dihydro-9,10-dihydroxy-6-nitrochrysene is 307.08447 g/mol.
Where can I buy trans-9,10-Dihydro-9,10-dihydroxy-6-nitrochrysene?
You can request a quote for trans-9,10-Dihydro-9,10-dihydroxy-6-nitrochrysene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for trans-9,10-Dihydro-9,10-dihydroxy-6-nitrochrysene?
Yes, CoreyChem provides custom synthesis services for trans-9,10-Dihydro-9,10-dihydroxy-6-nitrochrysene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.