2-(3,4-Bis(acetoxy)phenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triyltriacetate
TL;DR: 2-(3,4-Bis(acetoxy)phenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triyltriacetate (CAS 20194-41-6) is a chemical compound with molecular formula C25H24O11 and molecular weight 500.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5,7-diacetyloxy-2-(3,4-diacetyloxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate
Also Known As: Catechin pentaacetate, Epicatechin pentaacetate, Epicatechinpentaacetate, EINECS 282-687-9, Catechol, pentaacetate, (+)-
| Molecular Formula | C25H24O11 |
|---|---|
| Molecular Weight | 500.13 g/mol |
| LogP | 2.9957 |
| Topological Polar Surface Area | 140.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 500.13187 |
| Heavy Atoms | 36 |
| Complexity | 1230.7516 |
Chemical Identifiers
| CAS Number | 20194-41-6 |
|---|---|
| SMILES | CC(=O)OC1CC2=C(C=C(C=C2OC(=O)C)OC(=O)C)OC1C3=CC(=C(C=C3)OC(=O)C)OC(=O)C |
Product Overview
2-(3,4-Bis(acetoxy)phenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triyltriacetate (CAS 20194-41-6), with molecular formula C25H24O11 and molecular weight 500.13 g/mol. IUPAC: [5,7-diacetyloxy-2-(3,4-diacetyloxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate.
Chemical Property Profile of 2-(3,4-Bis(acetoxy)phenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triyltriacetate
Property Insights of 2-(3,4-Bis(acetoxy)phenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triyltriacetate
The XLogP value of 2.9957 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3,4-Bis(acetoxy)phenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triyltriacetate. The TPSA of 140.73 Ų indicates high polarity, suggesting 2-(3,4-Bis(acetoxy)phenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triyltriacetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(3,4-Bis(acetoxy)phenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triyltriacetate has 0 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 2-(3,4-Bis(acetoxy)phenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triyltriacetate?
The CAS number of 2-(3,4-Bis(acetoxy)phenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triyltriacetate is 20194-41-6.
What is the molecular formula of 2-(3,4-Bis(acetoxy)phenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triyltriacetate?
The molecular formula of 2-(3,4-Bis(acetoxy)phenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triyltriacetate is C25H24O11.
What is the molecular weight of 2-(3,4-Bis(acetoxy)phenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triyltriacetate?
The molecular weight of 2-(3,4-Bis(acetoxy)phenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triyltriacetate is 500.13 g/mol.
Where can I buy 2-(3,4-Bis(acetoxy)phenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triyltriacetate?
You can request a quote for 2-(3,4-Bis(acetoxy)phenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triyltriacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,4-Bis(acetoxy)phenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triyltriacetate?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,4-Bis(acetoxy)phenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triyltriacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.