![[1,1'-Biphenyl]-2,2',4,4',5,5'-hexayl hexaacetate structure](/static/products/7461/7461-76-9.webp)
[1,1'-Biphenyl]-2,2',4,4',5,5'-hexayl hexaacetate
TL;DR: [1,1'-Biphenyl]-2,2',4,4',5,5'-hexayl hexaacetate (CAS 7461-76-9) is a chemical compound with molecular formula C24H22O12 and molecular weight 502.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4,5-diacetyloxy-2-(2,4,5-triacetyloxyphenyl)phenyl] acetate
Also Known As: Trepibutone Impurity 1, [1,1'-Biphenyl]-2,2',4,4',5,5'-hexayl hexaacetate, [4,5-diacetyloxy-2-(2,4,5-triacetyloxyphenyl)phenyl] acetate
| Molecular Formula | C24H22O12 |
|---|---|
| Molecular Weight | 502.11 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 13 |
| Exact Mass | 502.1111 |
| Heavy Atoms | 36 |
| Complexity | 797.0 |
Chemical Identifiers
| CAS Number | 7461-76-9 |
|---|---|
| SMILES | CC(=O)OC1=CC(=C(C=C1C2=CC(=C(C=C2OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | MXBPOFCTXDAVKU-UHFFFAOYSA-N |
Product Overview
[1,1'-Biphenyl]-2,2',4,4',5,5'-hexayl hexaacetate (CAS 7461-76-9), with molecular formula C24H22O12 and molecular weight 502.11 g/mol. IUPAC: [4,5-diacetyloxy-2-(2,4,5-triacetyloxyphenyl)phenyl] acetate.
Chemical Property Profile of [1,1'-Biphenyl]-2,2',4,4',5,5'-hexayl hexaacetate
Property Insights of [1,1'-Biphenyl]-2,2',4,4',5,5'-hexayl hexaacetate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [1,1'-Biphenyl]-2,2',4,4',5,5'-hexayl hexaacetate. The TPSA of 158.0 Ų indicates high polarity, suggesting [1,1'-Biphenyl]-2,2',4,4',5,5'-hexayl hexaacetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [1,1'-Biphenyl]-2,2',4,4',5,5'-hexayl hexaacetate has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [1,1'-Biphenyl]-2,2',4,4',5,5'-hexayl hexaacetate?
The CAS number of [1,1'-Biphenyl]-2,2',4,4',5,5'-hexayl hexaacetate is 7461-76-9.
What is the molecular formula of [1,1'-Biphenyl]-2,2',4,4',5,5'-hexayl hexaacetate?
The molecular formula of [1,1'-Biphenyl]-2,2',4,4',5,5'-hexayl hexaacetate is C24H22O12.
What is the molecular weight of [1,1'-Biphenyl]-2,2',4,4',5,5'-hexayl hexaacetate?
The molecular weight of [1,1'-Biphenyl]-2,2',4,4',5,5'-hexayl hexaacetate is 502.11 g/mol.
Where can I buy [1,1'-Biphenyl]-2,2',4,4',5,5'-hexayl hexaacetate?
You can request a quote for [1,1'-Biphenyl]-2,2',4,4',5,5'-hexayl hexaacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [1,1'-Biphenyl]-2,2',4,4',5,5'-hexayl hexaacetate?
Yes, KEHONG BIO provides custom synthesis services for [1,1'-Biphenyl]-2,2',4,4',5,5'-hexayl hexaacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.