Symplocosin
TL;DR: Symplocosin (CAS 81446-29-9) is a chemical compound with molecular formula C26H32O11 and molecular weight 520.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[3-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: Symplocosin, Simplocosin, (-)-pinoresinol, (+)-Piresil-4-O-beta-D-glucopyraside, (-)-pinoresinol glucoside
| Molecular Formula | C26H32O11 |
|---|---|
| Molecular Weight | 520.19 g/mol |
| LogP | 0.6633 |
| Topological Polar Surface Area | 156.53 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 520.19446 |
| Heavy Atoms | 37 |
| Complexity | 1092.1877 |
Chemical Identifiers
| CAS Number | 81446-29-9 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C2C3COC(C3CO2)C4=CC(=C(C=C4)OC5C(C(C(C(O5)CO)O)O)O)OC)O |
Product Overview
Symplocosin (CAS 81446-29-9), with molecular formula C26H32O11 and molecular weight 520.19 g/mol. IUPAC: 2-[4-[3-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.
Chemical Property Profile of Symplocosin
Property Insights of Symplocosin
The XLogP value of 0.6633 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Symplocosin. The TPSA of 156.53 Ų indicates high polarity, suggesting Symplocosin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Symplocosin has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Symplocosin?
The CAS number of Symplocosin is 81446-29-9.
What is the molecular formula of Symplocosin?
The molecular formula of Symplocosin is C26H32O11.
What is the molecular weight of Symplocosin?
The molecular weight of Symplocosin is 520.19 g/mol.
Where can I buy Symplocosin?
You can request a quote for Symplocosin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Symplocosin?
Yes, KEHONG BIO provides custom synthesis services for Symplocosin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.