Protohypericin
TL;DR: Protohypericin (CAS 548-03-8) is a chemical compound with molecular formula C30H18O8 and molecular weight 506.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9,11,13,16,18,20-hexahydroxy-5,24-dimethylheptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1,3,5,8,10,12,14(28),15(27),16,18,20,23,25-tridecaene-7,22-dione
Also Known As: Protohypericin, Protohypericin [M+H]+, DIFORMYLIMIDESODIUMSALT, hexahydroxy(dimethyl)[?]dione, HY-N4139
| Molecular Formula | C30H18O8 |
|---|---|
| Molecular Weight | 506.10 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 156.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 506.10016 |
| Heavy Atoms | 38 |
| Complexity | 1270.0 |
Chemical Identifiers
| CAS Number | 548-03-8 |
|---|---|
| SMILES | CC1=CC(=O)C2=C(C3=C(C=C(C4=C3C(=C5C6=CC(=CC(=O)C6=C(C7=C(C=C(C4=C57)O)O)O)C)C2=C1)O)O)O |
| InChIKey | DPKVSJZTYNGFAW-UHFFFAOYSA-N |
Product Overview
Protohypericin (CAS 548-03-8), with molecular formula C30H18O8 and molecular weight 506.10 g/mol. IUPAC: 9,11,13,16,18,20-hexahydroxy-5,24-dimethylheptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1,3,5,8,10,12,14(28),15(27),16,18,20,23,25-tridecaene-7,22-dione.
Chemical Property Profile of Protohypericin
Property Insights of Protohypericin
The XLogP value of 3.8 indicates that Protohypericin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 156.0 Ų indicates high polarity, suggesting Protohypericin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Protohypericin has 6 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 Protohypericin?
The CAS number of Protohypericin is 548-03-8.
What is the molecular formula of Protohypericin?
The molecular formula of Protohypericin is C30H18O8.
What is the molecular weight of Protohypericin?
The molecular weight of Protohypericin is 506.10 g/mol.
Where can I buy Protohypericin?
You can request a quote for Protohypericin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Protohypericin?
Yes, KEHONG BIO provides custom synthesis services for Protohypericin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.