Supinin hydrochloride
TL;DR: Supinin hydrochloride (CAS 106455-44-1) is a chemical compound with molecular formula C15H26ClNO4 and molecular weight 319.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C15H26ClNO4 |
|---|---|
| Molecular Weight | 319.16 g/mol |
| LogP | -3.71 |
| Topological Polar Surface Area | 71.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 319.15503 |
| Heavy Atoms | 21 |
| Complexity | 407.0 |
Chemical Identifiers
| CAS Number | 106455-44-1 |
|---|---|
| SMILES | C[C@@H](C(C(C)C)(C(=O)OCC1=CC[NH+]2C1CCC2)O)O.[Cl-] |
| InChIKey | IAZXZAXZQOMXBB-LJWLWREDSA-N |
Product Overview
Supinin hydrochloride (CAS 106455-44-1), with molecular formula C15H26ClNO4 and molecular weight 319.16 g/mol. IUPAC: 3,4,5,6,7,8-hexahydropyrrolizin-4-ium-1-ylmethyl 2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate chloride.
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
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 319.16 g/mol.
Where can I buy Supinin hydrochloride?
You can request a quote for Supinin hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Supinin hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Supinin hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.