Stephavanine
TL;DR: Stephavanine (CAS 33116-33-5) is a chemical compound with molecular formula C26H27NO9 and molecular weight 497.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(15-hydroxy-14-methoxy-5,7,21-trioxa-20-azahexacyclo[11.4.3.111,14.01,13.02,10.04,8]henicosa-2,4(8),9-trien-16-yl) 4-hydroxy-3-methoxybenzoate
Also Known As: STEPHAVANINE, 4CN-0264, [hydroxy(methoxy)[?]yl] 4-hydroxy-3-methoxy-benzoate, (15-hydroxy-14-methoxy-5,7,21-trioxa-20-azahexacyclo[11.4.3.111,14.01,13.02,10.04,8]henicosa-2,4(8),9-trien-16-yl) 4-hydroxy-3-methoxybenzoate, (15-hydroxy-14-methoxy-5,7,21-trioxa-20-azahexacyclo[11.4.3.1^{11,14.0^{1,13.0^{2,10.0^{4,8]henicosa-2,4(8),9-trien-16-yl) 4-hydroxy-3-methoxybenzoate
| Molecular Formula | C26H27NO9 |
|---|---|
| Molecular Weight | 497.17 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 497.16858 |
| Heavy Atoms | 36 |
| Complexity | 905.0 |
Chemical Identifiers
| CAS Number | 33116-33-5 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C(=O)OC2CC34CCNC35CC(C6=CC7=C(C=C46)OCO7)OC5(C2O)OC)O |
| InChIKey | BTDVYOKUHWMJJD-UHFFFAOYSA-N |
Product Overview
Stephavanine (CAS 33116-33-5), with molecular formula C26H27NO9 and molecular weight 497.17 g/mol. IUPAC: (15-hydroxy-14-methoxy-5,7,21-trioxa-20-azahexacyclo[11.4.3.111,14.01,13.02,10.04,8]henicosa-2,4(8),9-trien-16-yl) 4-hydroxy-3-methoxybenzoate.
Chemical Property Profile of Stephavanine
Property Insights of Stephavanine
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Stephavanine. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Stephavanine. Following Lipinski's Rule of Five, Stephavanine has 3 hydrogen bond donor(s) and 10 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 Stephavanine?
The CAS number of Stephavanine is 33116-33-5.
What is the molecular formula of Stephavanine?
The molecular formula of Stephavanine is C26H27NO9.
What is the molecular weight of Stephavanine?
The molecular weight of Stephavanine is 497.17 g/mol.
Where can I buy Stephavanine?
You can request a quote for Stephavanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Stephavanine?
Yes, KEHONG BIO provides custom synthesis services for Stephavanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.