11-Ketofistularin 3
TL;DR: 11-Ketofistularin 3 (CAS 142755-09-7) is a chemical compound with molecular formula C31H28Br6N4O11 and molecular weight 1105.6854 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7,9-dibromo-N-[2-[3,5-dibromo-4-[3-[(7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carbonyl)amino]-2-oxopropoxy]phenyl]-2-hydroxyethyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide
Also Known As: 11-Ketofistularin 3, 1-Oxa-2-azaspiro(4.5)deca-2,6,8-triene-3-carboxamide, 7,9-dibromo-N-(3-(2,6-dibromo-4-(2-(((7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro(4.5)deca-2,6,8-trien-3-yl)carbonyl)amino)-1-hydroxyethyl)phenoxy)-2-oxopropyl)-10-hydroxy-8-methoxy-, 7,9-Dibromo-N-(3-{2,6-dibromo-4-[2-(7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamido)-1-hydroxyethyl]phenoxy}-2-oxopropyl)-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide, 7,9-dibromo-N-[2-[3,5-dibromo-4-[3-[(7,9-dibromo-10-hydroxy-8-methoxy-4-oxa-3-azaspiro[4.5]deca-2,6,8-triene-2-carbonyl)amino]-2-oxopropoxy]phenyl]-2-hydroxyethyl]-10-hydroxy-8-methoxy-4-oxa-3-azaspiro[4.5]deca-2,6,8-triene-2-carboxamide, 7,9-dibromo-N-[2-[3,5-dibromo-4-[3-[(7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carbonyl)amino]-2-oxopropoxy]phenyl]-2-hydroxyethyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide
Technical Specifications
| Molecular Formula | C31H28Br6N4O11 |
| Molecular Weight | 1105.6854 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 207.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 12 |
| Exact Mass | 1105.6854 Da |
| Heavy Atoms | 52 |
| Complexity | 1660.0 |
| SMILES | COC1=C(C(C2(CC(=NO2)C(=O)NCC(C3=CC(=C(C(=C3)Br)OCC(=O)CNC(=O)C4=NOC5(C4)C=C(C(=C(C5O)Br)OC)Br)Br)O)C=C1Br)O)Br |
| InChIKey | SGBKFQBILVXVCY-UHFFFAOYSA-N |
Chemical Property Profile of 11-Ketofistularin 3
Property Insights of 11-Ketofistularin 3
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 11-Ketofistularin 3. The TPSA of 207.0 Ų indicates high polarity, suggesting 11-Ketofistularin 3 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 11-Ketofistularin 3 has 5 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 11-Ketofistularin 3?
The CAS number of 11-Ketofistularin 3 is 142755-09-7.
What is the molecular formula of 11-Ketofistularin 3?
The molecular formula of 11-Ketofistularin 3 is C31H28Br6N4O11.
What is the molecular weight of 11-Ketofistularin 3?
The molecular weight of 11-Ketofistularin 3 is 1105.6854 g/mol.
Where can I buy 11-Ketofistularin 3?
You can request a quote for 11-Ketofistularin 3 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 11-Ketofistularin 3?
Yes, CoreyChem provides custom synthesis services for 11-Ketofistularin 3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.