Heliotrine, 4-oxide
TL;DR: Heliotrine, 4-oxide (CAS 6209-65-0) is a chemical compound with molecular formula C16H27NO6 and molecular weight 329.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(7S,8S)-7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl 2-hydroxy-2-(1-methoxyethyl)-3-methylbutanoate
Also Known As: Heliotrine N-oxide, Heliotrine, N-oxide, Heliotrine, 4-oxide, [(7S,8S)-7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl 2-hydroxy-2-(1-methoxyethyl)-3-methylbutanoate, (1S-(1alpha,7(2R*,3S*),7aalpha))-2-Hydroxy-2-(1-methoxyethyl)-3-methylbutanoic acid, (2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl)methyl ester
| Molecular Formula | C16H27NO6 |
|---|---|
| Molecular Weight | 329.18 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 94.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 329.18384 |
| Heavy Atoms | 23 |
| Complexity | 493.0 |
Chemical Identifiers
| CAS Number | 6209-65-0 |
|---|---|
| SMILES | CC(C)C(C(C)OC)(C(=O)OCC1=CC[N+]2([C@@H]1[C@H](CC2)O)[O-])O |
| InChIKey | QSTHEUSPIBEICI-ORJSOOTCSA-N |
Product Overview
Heliotrine, 4-oxide (CAS 6209-65-0), with molecular formula C16H27NO6 and molecular weight 329.18 g/mol. IUPAC: [(7S,8S)-7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl 2-hydroxy-2-(1-methoxyethyl)-3-methylbutanoate.
Chemical Property Profile of Heliotrine, 4-oxide
Property Insights of Heliotrine, 4-oxide
The XLogP value of -0.5 indicates that Heliotrine, 4-oxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 94.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Heliotrine, 4-oxide. Following Lipinski's Rule of Five, Heliotrine, 4-oxide has 2 hydrogen bond donor(s) and 6 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 Heliotrine, 4-oxide?
The CAS number of Heliotrine, 4-oxide is 6209-65-0.
What is the molecular formula of Heliotrine, 4-oxide?
The molecular formula of Heliotrine, 4-oxide is C16H27NO6.
What is the molecular weight of Heliotrine, 4-oxide?
The molecular weight of Heliotrine, 4-oxide is 329.18 g/mol.
Where can I buy Heliotrine, 4-oxide?
You can request a quote for Heliotrine, 4-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heliotrine, 4-oxide?
Yes, KEHONG BIO provides custom synthesis services for Heliotrine, 4-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.