Retusamine
TL;DR: Retusamine (CAS 80296-68-0) is a chemical compound with molecular formula C19H26NO7+ and molecular weight 380.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethyl-17-hydroxy-7,14,18-trimethyl-2,6,9-trioxa-14-azoniatetracyclo[9.5.1.14,7.014,17]octadec-11-ene-3,5,8-trione
Also Known As: Retusamine, 3-ethyl-14b-hydroxy-6,12,15-trimethyl-2,4,7-trioxo-3,4,6,7,9,11,13,14,14a,14b-decahydro-2h-3,6-methano[1,4,8]trioxacyclododecino[11,10,9-gh]pyrrolizin-12-ium, 4-ethyl-17-hydroxy-7,14,18-trimethyl-2,6,9-trioxa-14-azoniatetracyclo[9.5.1.14,7.014,17]octadec-11-ene-3,5,8-trione, 3-Ethyl-14b-hydroxy-6,12,15-trimethyl-2,4,7-trioxo-3,4,6,7,9,11,13,14,14a,14b-decahydro-2H-3,6-methano(1,4,8)trioxacyclododecino(11,10,9-gh)pyrrolizin-12-ium, 4~4~-Ethyl-1~7a~-hydroxy-1~4~,4~2~,4~3~-trimethyl-3,4~5~,5-trioxo-1~2~,1~3~,1~5~,1~7a~-tetrahydro-1~1~H-2,6-dioxa-1(1,7)-pyrrolizina-4(4,2)-oxolanacycloheptaphan-1~4~-ium
| Molecular Formula | C19H26NO7+ |
|---|---|
| Molecular Weight | 380.17 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 99.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 380.17093 |
| Heavy Atoms | 27 |
| Complexity | 778.0 |
Chemical Identifiers
| CAS Number | 80296-68-0 |
|---|---|
| SMILES | CCC12C(C(C(=O)OCC3=CC[N+]4(C3(C(CC4)OC1=O)O)C)(OC2=O)C)C |
| InChIKey | ZNDNHSZHGPQSBN-UHFFFAOYSA-N |
Product Overview
Retusamine (CAS 80296-68-0), with molecular formula C19H26NO7+ and molecular weight 380.17 g/mol. IUPAC: 4-ethyl-17-hydroxy-7,14,18-trimethyl-2,6,9-trioxa-14-azoniatetracyclo[9.5.1.14,7.014,17]octadec-11-ene-3,5,8-trione.
Chemical Property Profile of Retusamine
Property Insights of Retusamine
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Retusamine. The TPSA of 99.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Retusamine. Following Lipinski's Rule of Five, Retusamine has 1 hydrogen bond donor(s) and 7 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 Retusamine?
The CAS number of Retusamine is 80296-68-0.
What is the molecular formula of Retusamine?
The molecular formula of Retusamine is C19H26NO7+.
What is the molecular weight of Retusamine?
The molecular weight of Retusamine is 380.17 g/mol.
Where can I buy Retusamine?
You can request a quote for Retusamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Retusamine?
Yes, KEHONG BIO provides custom synthesis services for Retusamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.