Scirpusin B
TL;DR: Scirpusin B (CAS 69297-49-0) is a chemical compound with molecular formula C28H22O8 and molecular weight 486.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[2-(3,4-dihydroxyphenyl)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2,3-dihydro-1-benzofuran-4-yl]ethenyl]benzene-1,2-diol
Also Known As: Scirpusin B, 1,2-Benzenediol,4-[(1Z)-2-[(2S,3S)-2-(3,4-dihydroxyphenyl)-3-(3,5-dihydroxyphenyl)-2,3-dihydro-6-hydroxy-4-benzofuranyl]ethenyl]-, 1,2-Benzenediol, 4-(2-(2-(3,4-dihydroxyphenyl)-3-(3,5-dihydroxyphenyl)-2,3-dihydro-6-hydroxy-4-benzofuranyl)ethenyl)-, 4-[2-[2-(3,4-dihydroxyphenyl)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2,3-dihydro-1-benzofuran-4-yl]ethenyl]benzene-1,2-diol
| Molecular Formula | C28H22O8 |
|---|---|
| Molecular Weight | 486.13 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 151.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 486.13147 |
| Heavy Atoms | 36 |
| Complexity | 752.0 |
Chemical Identifiers
| CAS Number | 69297-49-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1C=CC2=C3C(C(OC3=CC(=C2)O)C4=CC(=C(C=C4)O)O)C5=CC(=CC(=C5)O)O)O)O |
| InChIKey | MTYSFTYBAMMIGE-UHFFFAOYSA-N |
Product Overview
Scirpusin B (CAS 69297-49-0), with molecular formula C28H22O8 and molecular weight 486.13 g/mol. IUPAC: 4-[2-[2-(3,4-dihydroxyphenyl)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2,3-dihydro-1-benzofuran-4-yl]ethenyl]benzene-1,2-diol.
Chemical Property Profile of Scirpusin B
Property Insights of Scirpusin B
The XLogP value of 4.7 indicates that Scirpusin B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 151.0 Ų indicates high polarity, suggesting Scirpusin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Scirpusin B has 7 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Scirpusin B?
The CAS number of Scirpusin B is 69297-49-0.
What is the molecular formula of Scirpusin B?
The molecular formula of Scirpusin B is C28H22O8.
What is the molecular weight of Scirpusin B?
The molecular weight of Scirpusin B is 486.13 g/mol.
Where can I buy Scirpusin B?
You can request a quote for Scirpusin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Scirpusin B?
Yes, KEHONG BIO provides custom synthesis services for Scirpusin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.