百里酚酞单磷酸酯镁盐
TL;DR: 百里酚酞单磷酸酯镁盐 (CAS 10496-54-5) is a chemical compound with molecular formula C28H29MgO7P and molecular weight 532.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
百里酚酞单磷酸酯镁盐
magnesium [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: Thymolphthalein monophosphate, C28H31O7P.1/2Mg, Thymolphthalein monophosphate, magnesium salt, Thymolphthalein monophosphate magnesium salt, C28-H31-O7-P.1/2Mg
| Molecular Formula | C28H29MgO7P |
|---|---|
| Molecular Weight | 532.15 g/mol |
| LogP | 4.54 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 532.15015 |
| Heavy Atoms | 37 |
| Complexity | 828.0 |
Chemical Identifiers
| CAS Number | 10496-54-5 |
|---|---|
| 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.[Mg+2] |
| InChIKey | KECMCOBQXBUHIH-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
百里酚酞单磷酸酯镁盐 (CAS 10496-54-5), with molecular formula C28H29MgO7P and molecular weight 532.15 g/mol. IUPAC: magnesium [4-[1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-oxo-2-benzofuran-1-yl]-5-methyl-2-propan-2-ylphenyl] phosphate.
Chemical Property Profile of 百里酚酞单磷酸酯镁盐
Property Insights of 百里酚酞单磷酸酯镁盐
The XLogP value of 4.54 indicates that 百里酚酞单磷酸酯镁盐 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 百里酚酞单磷酸酯镁盐. Following Lipinski's Rule of Five, 百里酚酞单磷酸酯镁盐 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 百里酚酞单磷酸酯镁盐?
The CAS number of 百里酚酞单磷酸酯镁盐 is 10496-54-5.
What is the molecular formula of 百里酚酞单磷酸酯镁盐?
The molecular formula of 百里酚酞单磷酸酯镁盐 is C28H29MgO7P.
What is the molecular weight of 百里酚酞单磷酸酯镁盐?
The molecular weight of 百里酚酞单磷酸酯镁盐 is 532.15 g/mol.
Where can I buy 百里酚酞单磷酸酯镁盐?
You can request a quote for 百里酚酞单磷酸酯镁盐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 百里酚酞单磷酸酯镁盐?
Yes, KEHONG BIO provides custom synthesis services for 百里酚酞单磷酸酯镁盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.