Irinotecan Impurity 3
TL;DR: Irinotecan Impurity 3 (CAS 143490-54-4) is a chemical compound with molecular formula C32H38N4O5 and molecular weight 558.28424 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5,13-diethyl-5-hydroxy-9-oxo-6-oxa-10,20-diazapentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,4(8),12,14(19),15,17-heptaen-16-yl) 4-piperidin-1-ylpiperidine-1-carboxylate
Also Known As: Irinotecan Impurity 3, Irinotecan Impurity 38, Irinotecan Impurity 42, Irinotecan Furan Ring Impurity, (5,13-Diethyl-5-hydroxy-9-oxo-6-oxa-10,20-diazapentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,4(8),12,14(19),15,17-heptaen-16-yl) 4-piperidin-1-ylpiperidine-1-carboxylate
Technical Specifications
| Molecular Formula | C32H38N4O5 |
| Molecular Weight | 558.28424 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 95.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 558.28424 Da |
| Heavy Atoms | 41 |
| Complexity | 1110.0 |
| SMILES | CCC1=C2CN3C(=CC4=C(C3=O)COC4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7 |
| InChIKey | HJJHCRZQVMWZSJ-UHFFFAOYSA-N |
Chemical Property Profile of Irinotecan Impurity 3
Property Insights of Irinotecan Impurity 3
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Irinotecan Impurity 3. The TPSA of 95.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Irinotecan Impurity 3. Following Lipinski's Rule of Five, Irinotecan Impurity 3 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Irinotecan Impurity 3?
The CAS number of Irinotecan Impurity 3 is 143490-54-4.
What is the molecular formula of Irinotecan Impurity 3?
The molecular formula of Irinotecan Impurity 3 is C32H38N4O5.
What is the molecular weight of Irinotecan Impurity 3?
The molecular weight of Irinotecan Impurity 3 is 558.28424 g/mol.
Where can I buy Irinotecan Impurity 3?
You can request a quote for Irinotecan Impurity 3 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Irinotecan Impurity 3?
Yes, CoreyChem provides custom synthesis services for Irinotecan Impurity 3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.