Indicine
TL;DR: Indicine (CAS 480-82-0) 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.
[(7R,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2R)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate
Also Known As: INDICINE, Echinatine, Lycopsamine, INDICIN, (+)-Indicine
| 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 | 480-82-0 |
|---|---|
| SMILES | C[C@@H]([C@](C(C)C)(C(=O)OCC1=CCN2[C@H]1[C@@H](CC2)O)O)O |
| InChIKey | SFVVQRJOGUKCEG-XTWPYSKKSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Indicine (CAS 480-82-0), with molecular formula C15H25NO5 and molecular weight 299.17 g/mol. IUPAC: [(7R,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2R)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate.
Chemical Property Profile of Indicine
Property Insights of Indicine
The XLogP value of -0.4 indicates that Indicine 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 Indicine. Following Lipinski's Rule of Five, Indicine 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 Indicine?
The CAS number of Indicine is 480-82-0.
What is the molecular formula of Indicine?
The molecular formula of Indicine is C15H25NO5.
What is the molecular weight of Indicine?
The molecular weight of Indicine is 299.17 g/mol.
Where can I buy Indicine?
You can request a quote for Indicine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Indicine?
Yes, KEHONG BIO provides custom synthesis services for Indicine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.