Supinin hydrochloride
TL;DR: Supinin hydrochloride (CAS 106455-44-1) is a chemical compound with molecular formula C15H26ClNO4 and molecular weight 319.15503 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,4,5,6,7,8-hexahydropyrrolizin-4-ium-1-ylmethyl 2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate chloride
Also Known As: Supinin hydrochloride, Supinine hydrochloride, Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester, hydrochloride, (7aS-(7(2R*,3S*),7aR*))-, 3,4,5,6,7,8-hexahydropyrrolizin-4-ium-1-ylmethyl 2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate chloride, 7-({[(3s)-2,3-dihydroxy-2-(propan-2-yl)butanoyl]oxy}methyl)-2,3,5,7a-tetrahydro-1h-pyrrolizinium chloride
Technical Specifications
| Molecular Formula | C15H26ClNO4 |
| Molecular Weight | 319.15503 g/mol |
| XLogP | -3.71 |
| Topological Polar Surface Area (TPSA) | 71.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 319.15503 Da |
| Heavy Atoms | 21 |
| Complexity | 407.0 |
| SMILES | C[C@@H](C(C(C)C)(C(=O)OCC1=CC[NH+]2C1CCC2)O)O.[Cl-] |
| InChIKey | IAZXZAXZQOMXBB-LJWLWREDSA-N |
Chemical Property Profile of Supinin hydrochloride
Property Insights of Supinin hydrochloride
The XLogP value of -3.71 indicates that Supinin hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 71.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Supinin hydrochloride. Following Lipinski's Rule of Five, Supinin hydrochloride has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Supinin hydrochloride?
The CAS number of Supinin hydrochloride is 106455-44-1.
What is the molecular formula of Supinin hydrochloride?
The molecular formula of Supinin hydrochloride is C15H26ClNO4.
What is the molecular weight of Supinin hydrochloride?
The molecular weight of Supinin hydrochloride is 319.15503 g/mol.
Where can I buy Supinin hydrochloride?
You can request a quote for Supinin hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Supinin hydrochloride?
Yes, CoreyChem provides custom synthesis services for Supinin hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.