Bisisodiospyrin
TL;DR: Bisisodiospyrin (CAS 35346-74-8) is a chemical compound with molecular formula C44H26O12 and molecular weight 746.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-hydroxy-2-[8-hydroxy-7-(4-hydroxy-2-methyl-5,8-dioxonaphthalen-1-yl)-6-methyl-1,4-dioxonaphthalen-2-yl]-7-(4-hydroxy-2-methyl-5,8-dioxonaphthalen-1-yl)-6-methylnaphthalene-1,4-dione
Also Known As: Bisisodiospyrin, 1',4,4''',8''-Tetrahydroxy-2,2''',3',6''-tetramethyl-[1,2':7',2'':7'',1'''-quaternaphthalen]-1'',4'',5,5',5''',8,8',8'''-octaone, 1',4,4''',8''-tetrahydroxy-2,2''',3',6''-tetramethyl-1,2':7',2'':7'',1'''-quaternaphthalene-1'',4'',5,5',5''',8,8',8'''-octone, 2-(Diethylamino)-N-(o-methylbenzyl)-2-phenylacetamide hydrochloride, (1,2':7',2'':7'',1'''-Quaternaphthalene)-1'',4'',5,5'5''',8,8',8'''-octone, 1',4,4''',8''-tetrahydroxy-2,2''',3',6''-tetramethyl-
| Molecular Formula | C44H26O12 |
|---|---|
| Molecular Weight | 746.14 g/mol |
| LogP | 7.2 |
| Topological Polar Surface Area | 217.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 3 |
| Exact Mass | 746.14246 |
| Heavy Atoms | 56 |
| Complexity | 1810.0 |
| Melting Point | 320 °C |
Chemical Identifiers
| CAS Number | 35346-74-8 |
|---|---|
| SMILES | CC1=CC2=C(C(=C1C3=C4C(=O)C=CC(=O)C4=C(C=C3C)O)O)C(=O)C(=CC2=O)C5=CC(=O)C6=C(C5=O)C(=C(C(=C6)C)C7=C8C(=O)C=CC(=O)C8=C(C=C7C)O)O |
| InChIKey | HIBRRCAYIWFCBY-UHFFFAOYSA-N |
Product Overview
Bisisodiospyrin (CAS 35346-74-8), with molecular formula C44H26O12 and molecular weight 746.14 g/mol. IUPAC: 8-hydroxy-2-[8-hydroxy-7-(4-hydroxy-2-methyl-5,8-dioxonaphthalen-1-yl)-6-methyl-1,4-dioxonaphthalen-2-yl]-7-(4-hydroxy-2-methyl-5,8-dioxonaphthalen-1-yl)-6-methylnaphthalene-1,4-dione.
Chemical Property Profile of Bisisodiospyrin
Property Insights of Bisisodiospyrin
The XLogP value of 7.2 indicates that Bisisodiospyrin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 217.0 Ų indicates high polarity, suggesting Bisisodiospyrin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bisisodiospyrin has 4 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 Bisisodiospyrin?
The CAS number of Bisisodiospyrin is 35346-74-8.
What is the molecular formula of Bisisodiospyrin?
The molecular formula of Bisisodiospyrin is C44H26O12.
What is the molecular weight of Bisisodiospyrin?
The molecular weight of Bisisodiospyrin is 746.14 g/mol.
Where can I buy Bisisodiospyrin?
You can request a quote for Bisisodiospyrin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bisisodiospyrin?
Yes, KEHONG BIO provides custom synthesis services for Bisisodiospyrin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.