Ccris 2164
TL;DR: Ccris 2164 (CAS 88598-60-1) is a chemical compound with molecular formula C20H13NO4 and molecular weight 331.08447 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(9S,10S)-1-nitro-9,10-dihydrobenzo[a]pyrene-9,10-diol
Also Known As: KST-1A9073, 4-(2-bromoethyl)-2-phenylmorpholin-2-ol, 1-Nitrobenzo(a)pyrene trans-9,10-dihydrodiol, (9s,10s)-1-nitro-9,10-dihydrobenzo[pqr]tetraphene-9,10-diol, (9S,10S)-1-nitro-9,10-dihydrobenzo[a]pyrene-9,10-diol
Technical Specifications
| Molecular Formula | C20H13NO4 |
| Molecular Weight | 331.08447 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 86.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 331.08447 Da |
| Heavy Atoms | 25 |
| Complexity | 587.0 |
| SMILES | C1=CC2=C([C@@H]([C@H]1O)O)C3=C4C(=C2)C=CC5=C4C(=C(C=C5)[N+](=O)[O-])C=C3 |
| InChIKey | ZQOGZSOBQVRZRN-OXJNMPFZSA-N |
Chemical Property Profile of Ccris 2164
Property Insights of Ccris 2164
The XLogP value of 3.7 indicates that Ccris 2164 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 Ccris 2164. Following Lipinski's Rule of Five, Ccris 2164 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 Ccris 2164?
The CAS number of Ccris 2164 is 88598-60-1.
What is the molecular formula of Ccris 2164?
The molecular formula of Ccris 2164 is C20H13NO4.
What is the molecular weight of Ccris 2164?
The molecular weight of Ccris 2164 is 331.08447 g/mol.
Where can I buy Ccris 2164?
You can request a quote for Ccris 2164 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ccris 2164?
Yes, CoreyChem provides custom synthesis services for Ccris 2164 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.