Stemonine
TL;DR: Stemonine (CAS 27498-90-4) is a chemical compound with molecular formula C22H31NO5 and molecular weight 389.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-3'-methyl-11-(4-methyl-5-oxooxolan-2-yl)spiro[5-oxa-10-azatricyclo[8.3.0.02,6]tridecane-4,5'-furan]-2'-one
Also Known As: Stemonine, stemoninine, 2H-Furo[3,2-c]pyrrolo[1,2-a]azepin-2-one,decahydro-1-methyl-8-[(2S,4S)-tetrahydro-4-methyl-5-oxo-2-furanyl]-,(1S,3aR,8S,10aS,10bR)-, 3-ethyl-3'-methyl-11-(4-methyl-5-oxooxolan-2-yl)spiro[5-oxa-10-azatricyclo[8.3.0.02,6]tridecane-4,5'-furan]-2'-one, (1'S,2R,3'aR,8'S,10'aS,10'bR)-1'-Ethyl-1',3'a,4',5',6',8',9',10',10'a,10'b-decahydro-4-methyl-8'-[(2S,4S)-tetrahydro-4-methyl-5-oxo-2-furanyl]spiro[furan-2(5H),2'-[2H]furo[3,2-c]pyrrolo[1,2-a]azepin]-5-one
| Molecular Formula | C22H31NO5 |
|---|---|
| Molecular Weight | 389.22 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 65.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 389.2202 |
| Heavy Atoms | 28 |
| Complexity | 720.0 |
Chemical Identifiers
| CAS Number | 27498-90-4 |
|---|---|
| SMILES | CCC1C2C3CCC(N3CCCC2OC14C=C(C(=O)O4)C)C5CC(C(=O)O5)C |
| InChIKey | UINUUSQOLRQGNF-UHFFFAOYSA-N |
Product Overview
Stemonine (CAS 27498-90-4), with molecular formula C22H31NO5 and molecular weight 389.22 g/mol. IUPAC: 3-ethyl-3'-methyl-11-(4-methyl-5-oxooxolan-2-yl)spiro[5-oxa-10-azatricyclo[8.3.0.02,6]tridecane-4,5'-furan]-2'-one.
Chemical Property Profile of Stemonine
Property Insights of Stemonine
The XLogP value of 3.4 indicates that Stemonine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Stemonine. Following Lipinski's Rule of Five, Stemonine has 0 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 Stemonine?
The CAS number of Stemonine is 27498-90-4.
What is the molecular formula of Stemonine?
The molecular formula of Stemonine is C22H31NO5.
What is the molecular weight of Stemonine?
The molecular weight of Stemonine is 389.22 g/mol.
Where can I buy Stemonine?
You can request a quote for Stemonine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Stemonine?
Yes, KEHONG BIO provides custom synthesis services for Stemonine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.