Rubitecan
TL;DR: Rubitecan (CAS 104195-61-1) is a chemical compound with molecular formula C20H15N3O6 and molecular weight 393.0961 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
19-ethyl-19-hydroxy-7-nitro-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione
Also Known As: Rubitecan, 9-Nitrocamptothecin, 10-Nitrocamptothecin, Nitrocamptothecin, 9-Aminocamptothecin
Technical Specifications
| Molecular Formula | C20H15N3O6 |
| Molecular Weight | 393.0961 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 126.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 393.0961 Da |
| Heavy Atoms | 29 |
| Complexity | 861.0 |
| SMILES | CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=CC(=CC5=C4)[N+](=O)[O-])O |
| InChIKey | XLHNAFUKOSPOAT-UHFFFAOYSA-N |
Chemical Property Profile of Rubitecan
Property Insights of Rubitecan
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Rubitecan. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Rubitecan. Following Lipinski's Rule of Five, Rubitecan has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Rubitecan?
The CAS number of Rubitecan is 104195-61-1.
What is the molecular formula of Rubitecan?
The molecular formula of Rubitecan is C20H15N3O6.
What is the molecular weight of Rubitecan?
The molecular weight of Rubitecan is 393.0961 g/mol.
Where can I buy Rubitecan?
You can request a quote for Rubitecan directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Rubitecan?
Yes, CoreyChem provides custom synthesis services for Rubitecan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.