poldinemetilsulfate
TL;DR: poldinemetilsulfate (CAS 52279-66-0) is a chemical compound with molecular formula C32H42NO9P and molecular weight 615.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-2-methylpropane-1,3-diol;[4-[1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-oxo-2-benzofuran-1-yl]-5-methyl-2-propan-2-ylphenyl] dihydrogen phosphate
Also Known As: poldinemetilsulfate, Thymolphthalein monophosphate 2-amino-2-methyl-1,3-propanediol salt, 1(3H)-Isobenzofuranone, 3-[4-hydroxy-2-methyl-5-(1-methylethyl)phenyl]-3-[2-methyl-5-(1-methylethyl)-4-(phosphonooxy)phenyl]-, compd. with 2-amino-2-methyl-1,3-propanediol (1:1), 2-amino-2-methylpropane-1,3-diol;[4-[1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-oxo-2-benzofuran-1-yl]-5-methyl-2-propan-2-ylphenyl] dihydrogen phosphate, 1(3H)-Isobenzofuranone, 3-(4-hydroxy-2-methyl-5-(1-methylethyl)phenyl)-3-(2-methyl-5-(1-methylethyl)-4-(phosphonooxy)phenyl)-, compd. with 2-amino-2-methyl-1,3-propanediol (1:1)
| Molecular Formula | C32H42NO9P |
|---|---|
| Molecular Weight | 615.26 g/mol |
| LogP | 4.88 |
| Topological Polar Surface Area | 180.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 615.2597 |
| Heavy Atoms | 43 |
| Complexity | 891.0 |
Chemical Identifiers
| CAS Number | 52279-66-0 |
|---|---|
| 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.CC(CO)(CO)N |
| InChIKey | DIYBCCDKXAYQHV-UHFFFAOYSA-N |
Product Overview
poldinemetilsulfate (CAS 52279-66-0), with molecular formula C32H42NO9P and molecular weight 615.26 g/mol. IUPAC: 2-amino-2-methylpropane-1,3-diol;[4-[1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-oxo-2-benzofuran-1-yl]-5-methyl-2-propan-2-ylphenyl] dihydrogen phosphate.
Chemical Property Profile of poldinemetilsulfate
Property Insights of poldinemetilsulfate
The XLogP value of 4.88 indicates that poldinemetilsulfate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 180.0 Ų indicates high polarity, suggesting poldinemetilsulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, poldinemetilsulfate has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of poldinemetilsulfate?
The CAS number of poldinemetilsulfate is 52279-66-0.
What is the molecular formula of poldinemetilsulfate?
The molecular formula of poldinemetilsulfate is C32H42NO9P.
What is the molecular weight of poldinemetilsulfate?
The molecular weight of poldinemetilsulfate is 615.26 g/mol.
Where can I buy poldinemetilsulfate?
You can request a quote for poldinemetilsulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for poldinemetilsulfate?
Yes, KEHONG BIO provides custom synthesis services for poldinemetilsulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.