溴化乙錠
TL;DR: 溴化乙錠 (CAS 1239-45-8) is a chemical compound with molecular formula C17H21NO4 and molecular weight 303.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
溴化乙錠
[(1S,2R,4S,5S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] 3-hydroxy-2-phenylpropanoate
Also Known As: scopolamine, Hyoscine, Skopolamin, Atrochin, Atroquin
| Molecular Formula | C17H21NO4 |
|---|---|
| Molecular Weight | 303.15 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 62.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 303.14706 |
| Heavy Atoms | 22 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 1239-45-8 |
|---|---|
| SMILES | CN1[C@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)C(CO)C4=CC=CC=C4 |
| InChIKey | STECJAGHUSJQJN-OYVHKFOJSA-N |
Product Overview
溴化乙錠 (CAS 1239-45-8), with molecular formula C17H21NO4 and molecular weight 303.15 g/mol. IUPAC: [(1S,2R,4S,5S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] 3-hydroxy-2-phenylpropanoate.
Chemical Property Profile of 溴化乙錠
Property Insights of 溴化乙錠
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 溴化乙錠. The TPSA of 62.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 溴化乙錠. Following Lipinski's Rule of Five, 溴化乙錠 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 溴化乙錠?
The CAS number of 溴化乙錠 is 1239-45-8.
What is the molecular formula of 溴化乙錠?
The molecular formula of 溴化乙錠 is C17H21NO4.
What is the molecular weight of 溴化乙錠?
The molecular weight of 溴化乙錠 is 303.15 g/mol.
Where can I buy 溴化乙錠?
You can request a quote for 溴化乙錠 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 溴化乙錠?
Yes, KEHONG BIO provides custom synthesis services for 溴化乙錠 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.