Cynaustraline hydrochloride
TL;DR: Cynaustraline hydrochloride (CAS 40158-94-9) is a chemical compound with molecular formula C15H28ClNO4 and molecular weight 321.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S)-1,2,3,4,5,6,7,8-octahydropyrrolizin-4-ium-1-yl]methyl (2R)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate chloride
Also Known As: Cynaustraline hydrochloride, Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (hexahydro-1H-pyrrolizin-1-yl)methyl ester, hydrochloride, (1R-(1-alpha(2S*,3S*),7a-beta))-, [(1S)-1,2,3,4,5,6,7,8-octahydropyrrolizin-4-ium-1-yl]methyl (2R)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate chloride, RefChem:1082800
| Molecular Formula | C15H28ClNO4 |
|---|---|
| Molecular Weight | 321.17 g/mol |
| LogP | -3.63 |
| Topological Polar Surface Area | 71.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 321.1707 |
| Heavy Atoms | 21 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 40158-94-9 |
|---|---|
| SMILES | C[C@@H]([C@](C(C)C)(C(=O)OC[C@H]1CC[NH+]2C1CCC2)O)O.[Cl-] |
| InChIKey | MMWVLWGLCFSCGL-OIHCVRETSA-N |
Product Overview
Cynaustraline hydrochloride (CAS 40158-94-9), with molecular formula C15H28ClNO4 and molecular weight 321.17 g/mol. IUPAC: [(1S)-1,2,3,4,5,6,7,8-octahydropyrrolizin-4-ium-1-yl]methyl (2R)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate chloride.
Chemical Property Profile of Cynaustraline hydrochloride
Property Insights of Cynaustraline hydrochloride
The XLogP value of -3.63 indicates that Cynaustraline 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 Cynaustraline hydrochloride. Following Lipinski's Rule of Five, Cynaustraline 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 Cynaustraline hydrochloride?
The CAS number of Cynaustraline hydrochloride is 40158-94-9.
What is the molecular formula of Cynaustraline hydrochloride?
The molecular formula of Cynaustraline hydrochloride is C15H28ClNO4.
What is the molecular weight of Cynaustraline hydrochloride?
The molecular weight of Cynaustraline hydrochloride is 321.17 g/mol.
Where can I buy Cynaustraline hydrochloride?
You can request a quote for Cynaustraline hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cynaustraline hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Cynaustraline hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.