Benzo(a)pyrenetetrol, tetraacetate
TL;DR: Benzo(a)pyrenetetrol, tetraacetate (CAS 67131-64-0) is a chemical compound with molecular formula C28H20O8 and molecular weight 484.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4,5,6-triacetyloxybenzo[a]pyren-3-yl) acetate
Also Known As: Benzo(a)pyrenetetrol, tetraacetate, benzo[pqr]tetraphene-3,4,5,6-tetrayl tetraacetate, (4,5,6-triacetyloxybenzo[a]pyren-3-yl) acetate
| Molecular Formula | C28H20O8 |
|---|---|
| Molecular Weight | 484.12 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 484.1158 |
| Heavy Atoms | 36 |
| Complexity | 900.0 |
Chemical Identifiers
| CAS Number | 67131-64-0 |
|---|---|
| SMILES | CC(=O)OC1=C2C3=C(C=CC4=C3C(=C(C5=CC=CC=C45)OC(=O)C)C(=C2OC(=O)C)OC(=O)C)C=C1 |
| InChIKey | XFNIUSYMHFPUOL-UHFFFAOYSA-N |
Product Overview
Benzo(a)pyrenetetrol, tetraacetate (CAS 67131-64-0), with molecular formula C28H20O8 and molecular weight 484.12 g/mol. IUPAC: (4,5,6-triacetyloxybenzo[a]pyren-3-yl) acetate.
Chemical Property Profile of Benzo(a)pyrenetetrol, tetraacetate
Property Insights of Benzo(a)pyrenetetrol, tetraacetate
The XLogP value of 5.3 indicates that Benzo(a)pyrenetetrol, tetraacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzo(a)pyrenetetrol, tetraacetate. Following Lipinski's Rule of Five, Benzo(a)pyrenetetrol, tetraacetate has 0 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 Benzo(a)pyrenetetrol, tetraacetate?
The CAS number of Benzo(a)pyrenetetrol, tetraacetate is 67131-64-0.
What is the molecular formula of Benzo(a)pyrenetetrol, tetraacetate?
The molecular formula of Benzo(a)pyrenetetrol, tetraacetate is C28H20O8.
What is the molecular weight of Benzo(a)pyrenetetrol, tetraacetate?
The molecular weight of Benzo(a)pyrenetetrol, tetraacetate is 484.12 g/mol.
Where can I buy Benzo(a)pyrenetetrol, tetraacetate?
You can request a quote for Benzo(a)pyrenetetrol, tetraacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo(a)pyrenetetrol, tetraacetate?
Yes, KEHONG BIO provides custom synthesis services for Benzo(a)pyrenetetrol, tetraacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.