Echinatine
TL;DR: Echinatine (CAS 480-83-1) is a chemical compound with molecular formula C15H25NO5 and molecular weight 299.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(7S,8S)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate
Also Known As: Echinatine, KST-1A5145, AI3-51768, [(1s,7as)-1-hydroxy-2,3,5,7a-tetrahydro-1h-pyrrolizin-7-yl]methyl(3s)-2,3-dihydroxy-2-(propan-2-yl)butanoate, [(7S,8S)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate
| Molecular Formula | C15H25NO5 |
|---|---|
| Molecular Weight | 299.17 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 90.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 299.17328 |
| Heavy Atoms | 21 |
| Complexity | 436.0 |
Chemical Identifiers
| CAS Number | 480-83-1 |
|---|---|
| SMILES | C[C@@H](C(C(C)C)(C(=O)OCC1=CCN2[C@@H]1[C@H](CC2)O)O)O |
| InChIKey | SFVVQRJOGUKCEG-RZUNFUDNSA-N |
Product Overview
Echinatine (CAS 480-83-1), with molecular formula C15H25NO5 and molecular weight 299.17 g/mol. IUPAC: [(7S,8S)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate.
Chemical Property Profile of Echinatine
Property Insights of Echinatine
The XLogP value of -0.4 indicates that Echinatine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 90.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Echinatine. Following Lipinski's Rule of Five, Echinatine has 3 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 Echinatine?
The CAS number of Echinatine is 480-83-1.
What is the molecular formula of Echinatine?
The molecular formula of Echinatine is C15H25NO5.
What is the molecular weight of Echinatine?
The molecular weight of Echinatine is 299.17 g/mol.
Where can I buy Echinatine?
You can request a quote for Echinatine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Echinatine?
Yes, KEHONG BIO provides custom synthesis services for Echinatine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.