Propanoic acid, 2,2-dimethyl-, methylenebis(2-oxo-2H-1-benzopyran-3,4-diyl) ester
TL;DR: Propanoic acid, 2,2-dimethyl-, methylenebis(2-oxo-2H-1-benzopyran-3,4-diyl) ester (CAS 81456-57-7) is a chemical compound with molecular formula C29H28O8 and molecular weight 504.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[[3-(2,2-dimethylpropanoyloxy)-2-oxochromen-4-yl]methyl]-2-oxochromen-3-yl] 2,2-dimethylpropanoate
Also Known As: Propanoic acid, 2,2-dimethyl-, methylenebis(2-oxo-2H-1-benzopyran-3,4-diyl) ester, [4-[[3-(2,2-dimethylpropanoyloxy)-2-oxochromen-4-yl]methyl]-2-oxochromen-3-yl] 2,2-dimethylpropanoate, Methylenebis(2-oxo-2H-1-benzopyran-4,3-diyl) bis(2,2-dimethylpropanoate), [4-[[3- -2-oxo-chromen-4-yl]methyl]-2-oxo-chromen-3-yl]2,2-dimethylpropanoate
| Molecular Formula | C29H28O8 |
|---|---|
| Molecular Weight | 504.18 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 504.1784 |
| Heavy Atoms | 37 |
| Complexity | 953.0 |
Chemical Identifiers
| CAS Number | 81456-57-7 |
|---|---|
| SMILES | CC(C)(C)C(=O)OC1=C(C2=CC=CC=C2OC1=O)CC3=C(C(=O)OC4=CC=CC=C43)OC(=O)C(C)(C)C |
| InChIKey | FYURZQZPZYVGQS-UHFFFAOYSA-N |
Product Overview
Propanoic acid, 2,2-dimethyl-, methylenebis(2-oxo-2H-1-benzopyran-3,4-diyl) ester (CAS 81456-57-7), with molecular formula C29H28O8 and molecular weight 504.18 g/mol. IUPAC: [4-[[3-(2,2-dimethylpropanoyloxy)-2-oxochromen-4-yl]methyl]-2-oxochromen-3-yl] 2,2-dimethylpropanoate.
Chemical Property Profile of Propanoic acid, 2,2-dimethyl-, methylenebis(2-oxo-2H-1-benzopyran-3,4-diyl) ester
Property Insights of Propanoic acid, 2,2-dimethyl-, methylenebis(2-oxo-2H-1-benzopyran-3,4-diyl) ester
The XLogP value of 5.6 indicates that Propanoic acid, 2,2-dimethyl-, methylenebis(2-oxo-2H-1-benzopyran-3,4-diyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanoic acid, 2,2-dimethyl-, methylenebis(2-oxo-2H-1-benzopyran-3,4-diyl) ester. Following Lipinski's Rule of Five, Propanoic acid, 2,2-dimethyl-, methylenebis(2-oxo-2H-1-benzopyran-3,4-diyl) ester has 0 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 Propanoic acid, 2,2-dimethyl-, methylenebis(2-oxo-2H-1-benzopyran-3,4-diyl) ester?
The CAS number of Propanoic acid, 2,2-dimethyl-, methylenebis(2-oxo-2H-1-benzopyran-3,4-diyl) ester is 81456-57-7.
What is the molecular formula of Propanoic acid, 2,2-dimethyl-, methylenebis(2-oxo-2H-1-benzopyran-3,4-diyl) ester?
The molecular formula of Propanoic acid, 2,2-dimethyl-, methylenebis(2-oxo-2H-1-benzopyran-3,4-diyl) ester is C29H28O8.
What is the molecular weight of Propanoic acid, 2,2-dimethyl-, methylenebis(2-oxo-2H-1-benzopyran-3,4-diyl) ester?
The molecular weight of Propanoic acid, 2,2-dimethyl-, methylenebis(2-oxo-2H-1-benzopyran-3,4-diyl) ester is 504.18 g/mol.
Where can I buy Propanoic acid, 2,2-dimethyl-, methylenebis(2-oxo-2H-1-benzopyran-3,4-diyl) ester?
You can request a quote for Propanoic acid, 2,2-dimethyl-, methylenebis(2-oxo-2H-1-benzopyran-3,4-diyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanoic acid, 2,2-dimethyl-, methylenebis(2-oxo-2H-1-benzopyran-3,4-diyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 2,2-dimethyl-, methylenebis(2-oxo-2H-1-benzopyran-3,4-diyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.