RefChem:408847
TL;DR: RefChem:408847 (CAS 67953-09-7) is a chemical compound with molecular formula C56H58MgNa2O14P2 and molecular weight 1086.2948 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
magnesium;disodium;bis([4-[1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-oxo-2-benzofuran-1-yl]-5-methyl-2-propan-2-ylphenyl] phosphate)
Also Known As: Cid 107003, Thymolphthalein monophosphate, magnesium, sodium salt, 1(3H)-Isobenzofuranone, 3-[4-hydroxy-2-methyl-5-(1-methylethyl)phenyl]-3-[2-methyl-5-(1-methylethyl)-4-(phosphonooxy)phenyl]-, magnesium sodium salt (2:1:4), 1(3H)-Isobenzofuranone, 3-(4-hydroxy-2-methyl-5-(1-methylethyl)phenyl)-3-(2-methyl-5-(1-methylethyl)-4-(phosphonooxy)phenyl)-, magnesium sodium salt (2:1:4), magnesium sodium 4-{1-[4-hydroxy-2-methyl-5-(propan-2-yl)phenyl]-3-oxo-1,3-dihydro-2-benzofuran-1-yl}-5-methyl-2-(propan-2-yl)phenyl phosphate(1:2:2)
Technical Specifications
| Molecular Formula | C56H58MgNa2O14P2 |
| Molecular Weight | 1086.2948 g/mol |
| XLogP | 3.48 |
| Topological Polar Surface Area (TPSA) | 238.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 10 |
| Exact Mass | 1086.2948 Da |
| Heavy Atoms | 75 |
| Complexity | 828.0 |
| SMILES | CC1=CC(=C(C=C1C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C=C4C)OP(=O)([O-])[O-])C(C)C)C(C)C)O.CC1=CC(=C(C=C1C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C=C4C)OP(=O)([O-])[O-])C(C)C)C(C)C)O.[Na+].[Na+].[Mg+2] |
| InChIKey | QYUHXSXVCAHPRT-UHFFFAOYSA-J |
Chemical Property Profile of RefChem:408847
Property Insights of RefChem:408847
The XLogP value of 3.48 indicates that RefChem:408847 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 238.0 Ų indicates high polarity, suggesting RefChem:408847 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:408847 has 2 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:408847?
The CAS number of RefChem:408847 is 67953-09-7.
What is the molecular formula of RefChem:408847?
The molecular formula of RefChem:408847 is C56H58MgNa2O14P2.
What is the molecular weight of RefChem:408847?
The molecular weight of RefChem:408847 is 1086.2948 g/mol.
Where can I buy RefChem:408847?
You can request a quote for RefChem:408847 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:408847?
Yes, CoreyChem provides custom synthesis services for RefChem:408847 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.