C17H21NO4.BrH.3/2H2O
TL;DR: C17H21NO4.BrH.3/2H2O (CAS 152612-85-6) is a chemical compound with molecular formula C34H50Br2N2O11 and molecular weight 820.17816 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis([(1S,2R,4S,5R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate);trihydrate;dihydrobromide
Also Known As: C17H21NO4.BrH.3/2H2O, (-)-scopolamine hydrobromide sesquihydrate, C17-H21-N-O4.Br-H.3/2H2-O
Technical Specifications
| Molecular Formula | C34H50Br2N2O11 |
| Molecular Weight | 820.17816 g/mol |
| XLogP | 0.5179 |
| Topological Polar Surface Area (TPSA) | 128.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 10 |
| Exact Mass | 820.17816 Da |
| Heavy Atoms | 49 |
| Complexity | 418.0 |
| SMILES | CN1[C@@H]2CC(C[C@H]1[C@@H]3[C@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4.CN1[C@@H]2CC(C[C@H]1[C@@H]3[C@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4.O.O.O.Br.Br |
| InChIKey | VTPLKBFKUNWIDR-CEZXFDJLSA-N |
Chemical Property Profile of C17H21NO4.BrH.3/2H2O
Property Insights of C17H21NO4.BrH.3/2H2O
The XLogP value of 0.5179 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C17H21NO4.BrH.3/2H2O. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C17H21NO4.BrH.3/2H2O. Following Lipinski's Rule of Five, C17H21NO4.BrH.3/2H2O has 7 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 C17H21NO4.BrH.3/2H2O?
The CAS number of C17H21NO4.BrH.3/2H2O is 152612-85-6.
What is the molecular formula of C17H21NO4.BrH.3/2H2O?
The molecular formula of C17H21NO4.BrH.3/2H2O is C34H50Br2N2O11.
What is the molecular weight of C17H21NO4.BrH.3/2H2O?
The molecular weight of C17H21NO4.BrH.3/2H2O is 820.17816 g/mol.
Where can I buy C17H21NO4.BrH.3/2H2O?
You can request a quote for C17H21NO4.BrH.3/2H2O directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C17H21NO4.BrH.3/2H2O?
Yes, CoreyChem provides custom synthesis services for C17H21NO4.BrH.3/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.