Delequamine
TL;DR: Delequamine (CAS 128049-51-4) is a chemical compound with molecular formula C15H21NO6S and molecular weight 343.10895 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl 6-hydroxy-3-(methylsulfonyloxymethyl)-2,3-dihydroindole-1-carboxylate
Also Known As: Delequamine, Seco-(+)-N-boc-ci, NCI60_027081, (+/-)-2,3-Dihydro-6-hydroxy-3-(((methylsulfonyl)oxy)methyl)-1H-indole-1-carboxylic acid 1,1-dimethylethyl ester, 1-[(t-Butyloxy)carbonyl]-6-hydroxy-3-{[(methanesulfonyl)-oxy]methyl}indoline
Technical Specifications
| Molecular Formula | C15H21NO6S |
| Molecular Weight | 343.10895 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 343.10895 Da |
| Heavy Atoms | 23 |
| Complexity | 535.0 |
| SMILES | CC(C)(C)OC(=O)N1CC(C2=C1C=C(C=C2)O)COS(=O)(=O)C |
| InChIKey | YBIFXPUUHIBODV-UHFFFAOYSA-N |
Chemical Property Profile of Delequamine
Property Insights of Delequamine
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Delequamine. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Delequamine. Following Lipinski's Rule of Five, Delequamine has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Delequamine?
The CAS number of Delequamine is 128049-51-4.
What is the molecular formula of Delequamine?
The molecular formula of Delequamine is C15H21NO6S.
What is the molecular weight of Delequamine?
The molecular weight of Delequamine is 343.10895 g/mol.
Where can I buy Delequamine?
You can request a quote for Delequamine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Delequamine?
Yes, CoreyChem provides custom synthesis services for Delequamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.