C22H23BrN2O8
TL;DR: C22H23BrN2O8 (CAS 1212099-85-8) is a chemical compound with molecular formula C22H23BrN2O8 and molecular weight 522.0638 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-O'-butyl 5-O'-methyl (3S)-2'-amino-5-bromo-6'-(2-methoxy-2-oxoethyl)-2-oxospiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate
Also Known As: (S)-3'-butyl 5'-methyl 2'-amino-5-bromo-6'-(2-methoxy-2-oxoethyl)-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate, 3-O'-butyl 5-O'-methyl (3S)-2'-amino-5-bromo-6'-(2-methoxy-2-oxoethyl)-2-oxospiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate
Technical Specifications
| Molecular Formula | C22H23BrN2O8 |
| Molecular Weight | 522.0638 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 143.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 522.0638 Da |
| Heavy Atoms | 33 |
| Complexity | 914.0 |
| SMILES | CCCCOC(=O)C1=C(OC(=C([C@@]12C3=C(C=CC(=C3)Br)NC2=O)C(=O)OC)CC(=O)OC)N |
| InChIKey | OVRTXQRVCGRWKL-QFIPXVFZSA-N |
Chemical Property Profile of C22H23BrN2O8
Property Insights of C22H23BrN2O8
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C22H23BrN2O8. The TPSA of 143.0 Ų indicates high polarity, suggesting C22H23BrN2O8 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C22H23BrN2O8 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of C22H23BrN2O8?
The CAS number of C22H23BrN2O8 is 1212099-85-8.
What is the molecular formula of C22H23BrN2O8?
The molecular formula of C22H23BrN2O8 is C22H23BrN2O8.
What is the molecular weight of C22H23BrN2O8?
The molecular weight of C22H23BrN2O8 is 522.0638 g/mol.
Where can I buy C22H23BrN2O8?
You can request a quote for C22H23BrN2O8 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C22H23BrN2O8?
Yes, CoreyChem provides custom synthesis services for C22H23BrN2O8 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.