Curassavine
TL;DR: Curassavine (CAS 82398-74-1) is a chemical compound with molecular formula C16H29NO4 and molecular weight 299.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethyl 2-hydroxy-2-(1-hydroxyethyl)-3-methylpentanoate
Also Known As: Curassavine, Pentanoic acid, 2-hydroxy-2-(1-hydroxyethyl)-3-methyl-, (hexahydro-1H-pyrrolizin-1-yl)methyl ester, 2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethyl 2-hydroxy-2-(1-hydroxyethyl)-3-methylpentanoate, (Hexahydro-1H-pyrrolizin-1-yl)methyl 2-hydroxy-2-(1-hydroxyethyl)-3-methylpentanoate, 1H-1,5,3-Benzodiazaphosphepine, 2,3,4,5-tetrahydro-3-phenyl-, 3-sulfide
| Molecular Formula | C16H29NO4 |
|---|---|
| Molecular Weight | 299.21 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 70.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 299.20966 |
| Heavy Atoms | 21 |
| Complexity | 375.0 |
Chemical Identifiers
| CAS Number | 82398-74-1 |
|---|---|
| SMILES | CCC(C)C(C(C)O)(C(=O)OCC1CCN2C1CCC2)O |
| InChIKey | VBLBKKUAYMFOAG-UHFFFAOYSA-N |
Product Overview
Curassavine (CAS 82398-74-1), with molecular formula C16H29NO4 and molecular weight 299.21 g/mol. IUPAC: 2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethyl 2-hydroxy-2-(1-hydroxyethyl)-3-methylpentanoate.
Chemical Property Profile of Curassavine
Property Insights of Curassavine
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Curassavine. The TPSA of 70.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Curassavine. Following Lipinski's Rule of Five, Curassavine has 2 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 Curassavine?
The CAS number of Curassavine is 82398-74-1.
What is the molecular formula of Curassavine?
The molecular formula of Curassavine is C16H29NO4.
What is the molecular weight of Curassavine?
The molecular weight of Curassavine is 299.21 g/mol.
Where can I buy Curassavine?
You can request a quote for Curassavine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Curassavine?
Yes, KEHONG BIO provides custom synthesis services for Curassavine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.