Desoxohypericin hexaacetate
TL;DR: Desoxohypericin hexaacetate (CAS 120907-97-3) is a chemical compound with molecular formula C42H30O12 and molecular weight 726.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5,11,18,22,24-pentaacetyloxy-13,16-dimethyl-7-octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(26),2,4,6,8,10,12,14(28),15(27),16,18,20,22,24-tetradecaenyl) acetate
Also Known As: Desoxohypericin hexaacetate, DOHHA, (5,11,18,22,24-pentaacetyloxy-13,16-dimethyl-7-octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(26),2,4,6,8,10,12,14(28),15(27),16,18,20,22,24-tetradecaenyl) acetate, 10,11-dimethylphenanthro[1,10,9,8-opqra]perylene-1,3,4,6,8,13-hexayl hexaacetate, RefChem:132283
| Molecular Formula | C42H30O12 |
|---|---|
| Molecular Weight | 726.17 g/mol |
| LogP | 7.2 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 12 |
| Exact Mass | 726.1737 |
| Heavy Atoms | 54 |
| Complexity | 1460.0 |
Chemical Identifiers
| CAS Number | 120907-97-3 |
|---|---|
| SMILES | CC1=CC(=C2C=C3C(=CC(=C4C3=C5C2=C1C6=C7C5=C8C4=C(C=C(C8=CC7=C(C=C6C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | YOXPUNVRTABBAI-UHFFFAOYSA-N |
Product Overview
Desoxohypericin hexaacetate (CAS 120907-97-3), with molecular formula C42H30O12 and molecular weight 726.17 g/mol. IUPAC: (5,11,18,22,24-pentaacetyloxy-13,16-dimethyl-7-octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(26),2,4,6,8,10,12,14(28),15(27),16,18,20,22,24-tetradecaenyl) acetate.
Chemical Property Profile of Desoxohypericin hexaacetate
Property Insights of Desoxohypericin hexaacetate
The XLogP value of 7.2 indicates that Desoxohypericin hexaacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 158.0 Ų indicates high polarity, suggesting Desoxohypericin hexaacetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Desoxohypericin 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 Desoxohypericin hexaacetate?
The CAS number of Desoxohypericin hexaacetate is 120907-97-3.
What is the molecular formula of Desoxohypericin hexaacetate?
The molecular formula of Desoxohypericin hexaacetate is C42H30O12.
What is the molecular weight of Desoxohypericin hexaacetate?
The molecular weight of Desoxohypericin hexaacetate is 726.17 g/mol.
Where can I buy Desoxohypericin hexaacetate?
You can request a quote for Desoxohypericin hexaacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Desoxohypericin hexaacetate?
Yes, KEHONG BIO provides custom synthesis services for Desoxohypericin hexaacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.