Schisantherin B
TL;DR: Schisantherin B (CAS 64938-51-8) is a chemical compound with molecular formula C28H34O9 and molecular weight 514.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8S,9S,10S)-9-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-8-yl] 2-methylbut-2-enoate
Also Known As: Schisantherin B, (8S,9S,10S)-9-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0(2),?.0(1)?,(1)?]nonadeca-1(19),2(7),3,5,12,14(18)-hexaen-8-yl (2E)-2-methylbut-2-enoate
| Molecular Formula | C28H34O9 |
|---|---|
| Molecular Weight | 514.22 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 514.2203 |
| Heavy Atoms | 37 |
| Complexity | 832.0 |
Chemical Identifiers
| CAS Number | 64938-51-8 |
|---|---|
| SMILES | CC=C(C)C(=O)O[C@H]1C2=CC(=C(C(=C2C3=C(C4=C(C=C3C[C@@H]([C@]1(C)O)C)OCO4)OC)OC)OC)OC |
| InChIKey | BKGUPIVDQHHVMV-RAOKGXNCSA-N |
Product Overview
Schisantherin B (CAS 64938-51-8), with molecular formula C28H34O9 and molecular weight 514.22 g/mol. IUPAC: [(8S,9S,10S)-9-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-8-yl] 2-methylbut-2-enoate.
Chemical Property Profile of Schisantherin B
Property Insights of Schisantherin B
The XLogP value of 4.6 indicates that Schisantherin B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Schisantherin B. Following Lipinski's Rule of Five, Schisantherin B has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Schisantherin B?
The CAS number of Schisantherin B is 64938-51-8.
What is the molecular formula of Schisantherin B?
The molecular formula of Schisantherin B is C28H34O9.
What is the molecular weight of Schisantherin B?
The molecular weight of Schisantherin B is 514.22 g/mol.
Where can I buy Schisantherin B?
You can request a quote for Schisantherin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Schisantherin B?
Yes, KEHONG BIO provides custom synthesis services for Schisantherin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.