Peroxyhypocrellin
TL;DR: Peroxyhypocrellin (CAS 80047-67-2) is a chemical compound with molecular formula C30H28O12 and molecular weight 580.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetyl-4,18,25-trihydroxy-3,13,15,20-tetramethoxy-25-methyl-23,24-dioxaheptacyclo[20.2.1.01,6.05,10.07,21.08,17.09,14]pentacosa-3,5,8(17),9,12,15,20-heptaene-11,19-dione
Also Known As: Peroxyhypocrellin, 2-acetyl-4,18,25-trihydroxy-3,13,15,20-tetramethoxy-25-methyl-23,24-dioxaheptacyclo[20.2.1.01,6.05,10.07,21.08,17.09,14]pentacosa-3,5,8(17),9,12,15,20-heptaene-11,19-dione, 8a,13b-Epidioxy-2H-cyclohepta(ghi)perylene-6,12(1H,3H)-dione, 3-acetyl-2,5,11-trihydroxy-4,8,9,13-tetramethoxy-2-methyl-, 11-Acetyl-3,9,15-trihydroxy-1,5,6,10-tetramethoxy-15-methyl-11,14b-dihydro-3H-11a,14-methano-12,13-dioxabenzo[kl]heptaleno[2,1,10,9-defg]anthracene-2,8(5aH,14H)-dione, 8a,13b-Epidioxy-2H-cyclohepta0ghi)perylene-6,12(1H,3H)-dione, 3-acetyl-2,5,11-trihydroxy-4,8,9,13-tetramethoxy-2-methyl-
| Molecular Formula | C30H28O12 |
|---|---|
| Molecular Weight | 580.16 g/mol |
| LogP | -3.1 |
| Topological Polar Surface Area | 167.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 580.1581 |
| Heavy Atoms | 42 |
| Complexity | 1660.0 |
Chemical Identifiers
| CAS Number | 80047-67-2 |
|---|---|
| SMILES | CC(=O)C1C(=C(C2=C3C14C(C(C5=C(C(=O)C(C6=C(C53)C7=C2C(=O)C=C(C7C(=C6)OC)OC)O)OC)OO4)(C)O)O)OC |
| InChIKey | IJDYTMZCLRHIPL-UHFFFAOYSA-N |
Product Overview
Peroxyhypocrellin (CAS 80047-67-2), with molecular formula C30H28O12 and molecular weight 580.16 g/mol. IUPAC: 2-acetyl-4,18,25-trihydroxy-3,13,15,20-tetramethoxy-25-methyl-23,24-dioxaheptacyclo[20.2.1.01,6.05,10.07,21.08,17.09,14]pentacosa-3,5,8(17),9,12,15,20-heptaene-11,19-dione.
Chemical Property Profile of Peroxyhypocrellin
Property Insights of Peroxyhypocrellin
The XLogP value of -3.1 indicates that Peroxyhypocrellin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 167.0 Ų indicates high polarity, suggesting Peroxyhypocrellin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Peroxyhypocrellin has 3 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 Peroxyhypocrellin?
The CAS number of Peroxyhypocrellin is 80047-67-2.
What is the molecular formula of Peroxyhypocrellin?
The molecular formula of Peroxyhypocrellin is C30H28O12.
What is the molecular weight of Peroxyhypocrellin?
The molecular weight of Peroxyhypocrellin is 580.16 g/mol.
Where can I buy Peroxyhypocrellin?
You can request a quote for Peroxyhypocrellin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Peroxyhypocrellin?
Yes, KEHONG BIO provides custom synthesis services for Peroxyhypocrellin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.