Stephamiersine
TL;DR: Stephamiersine (CAS 52309-76-9) is a chemical compound with molecular formula C21H27NO6 and molecular weight 389.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,11,12-tetramethoxy-17-methyl-18-oxa-17-azapentacyclo[8.4.3.18,11.01,10.02,7]octadeca-2(7),3,5-trien-13-one
Also Known As: Stephamiersine, Epistephamiersine, (7S)-8,10-Epoxy-3,4,7,8-tetramethoxy-17-methylhasubanan-6-one, (1S,8S,10S,11R,12S)-3,4,11,12-tetramethoxy-17-methyl-18-oxa-17-azapentacyclo[8.4.3.18,11.01,10.02,7]octadeca-2(7),3,5-trien-13-one, (7S)-8beta,10beta-Epoxy-3,4,7,8-tetramethoxy-17-methylhasubanan-6-one
| Molecular Formula | C21H27NO6 |
|---|---|
| Molecular Weight | 389.18 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 66.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 389.18384 |
| Heavy Atoms | 28 |
| Complexity | 673.0 |
Chemical Identifiers
| CAS Number | 52309-76-9 |
|---|---|
| SMILES | CN1CCC23C14CC(C5=C2C(=C(C=C5)OC)OC)OC4(C(C(=O)C3)OC)OC |
| InChIKey | UTTZNWQGZHNUIG-UHFFFAOYSA-N |
Product Overview
Stephamiersine (CAS 52309-76-9), with molecular formula C21H27NO6 and molecular weight 389.18 g/mol. IUPAC: 3,4,11,12-tetramethoxy-17-methyl-18-oxa-17-azapentacyclo[8.4.3.18,11.01,10.02,7]octadeca-2(7),3,5-trien-13-one.
Chemical Property Profile of Stephamiersine
Property Insights of Stephamiersine
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Stephamiersine. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Stephamiersine. Following Lipinski's Rule of Five, Stephamiersine has 0 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 Stephamiersine?
The CAS number of Stephamiersine is 52309-76-9.
What is the molecular formula of Stephamiersine?
The molecular formula of Stephamiersine is C21H27NO6.
What is the molecular weight of Stephamiersine?
The molecular weight of Stephamiersine is 389.18 g/mol.
Where can I buy Stephamiersine?
You can request a quote for Stephamiersine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Stephamiersine?
Yes, KEHONG BIO provides custom synthesis services for Stephamiersine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.