Curassavinine
TL;DR: Curassavinine (CAS 84306-92-3) is a chemical compound with molecular formula C16H27NO4 and molecular weight 297.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6,7,8-tetrahydro-3H-pyrrolizin-1-ylmethyl 2-hydroxy-2-(1-hydroxyethyl)-3-methylpentanoate
Also Known As: Curassavinine, Pentanoic acid, 2-hydroxy-2-(1-hydroxyethyl)-3-methyl-, (2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester, 5,6,7,8-tetrahydro-3H-pyrrolizin-1-ylmethyl 2-hydroxy-2-(1-hydroxyethyl)-3-methylpentanoate, (2,3,5,7a-Tetrahydro-1H-pyrrolizin-7-yl)methyl 2-hydroxy-2-(1-hydroxyethyl)-3-methylpentanoate, 2-Hydroxy-2- -3-methylpentanoicacid[[5,6,7,7a-tetrahydro-3H-pyrrolizin]-1-ylmethyl]ester
| Molecular Formula | C16H27NO4 |
|---|---|
| Molecular Weight | 297.19 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 70.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 297.194 |
| Heavy Atoms | 21 |
| Complexity | 423.0 |
Chemical Identifiers
| CAS Number | 84306-92-3 |
|---|---|
| SMILES | CCC(C)C(C(C)O)(C(=O)OCC1=CCN2C1CCC2)O |
| InChIKey | WNDKUMUAOQFAGL-UHFFFAOYSA-N |
Product Overview
Curassavinine (CAS 84306-92-3), with molecular formula C16H27NO4 and molecular weight 297.19 g/mol. IUPAC: 5,6,7,8-tetrahydro-3H-pyrrolizin-1-ylmethyl 2-hydroxy-2-(1-hydroxyethyl)-3-methylpentanoate.
Chemical Property Profile of Curassavinine
Property Insights of Curassavinine
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Curassavinine. The TPSA of 70.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Curassavinine. Following Lipinski's Rule of Five, Curassavinine 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 Curassavinine?
The CAS number of Curassavinine is 84306-92-3.
What is the molecular formula of Curassavinine?
The molecular formula of Curassavinine is C16H27NO4.
What is the molecular weight of Curassavinine?
The molecular weight of Curassavinine is 297.19 g/mol.
Where can I buy Curassavinine?
You can request a quote for Curassavinine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Curassavinine?
Yes, KEHONG BIO provides custom synthesis services for Curassavinine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.