3-(2-hydroxypropyl)-4-methyl-2-oxo-2H-chromen-7-yl 3,4-dimethoxybenzoate
TL;DR: 3-(2-hydroxypropyl)-4-methyl-2-oxo-2H-chromen-7-yl 3,4-dimethoxybenzoate (CAS 672899-72-8) is a chemical compound with molecular formula C22H22O7 and molecular weight 398.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(2-hydroxypropyl)-4-methyl-2-oxochromen-7-yl] 3,4-dimethoxybenzoate
Also Known As: 3-(2-hydroxypropyl)-4-methyl-2-oxo-2H-chromen-7-yl 3,4-dimethoxybenzoate, A3049/0128738, [3-(2-hydroxypropyl)-4-methyl-2-oxochromen-7-yl] 3,4-dimethoxybenzoate
| Molecular Formula | C22H22O7 |
|---|---|
| Molecular Weight | 398.14 g/mol |
| LogP | 3.26112 |
| Topological Polar Surface Area | 95.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 398.13657 |
| Heavy Atoms | 29 |
| Complexity | 1112.0792 |
Chemical Identifiers
| CAS Number | 672899-72-8 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=C1C=CC(=C2)OC(=O)C3=CC(=C(C=C3)OC)OC)CC(C)O |
Product Overview
3-(2-hydroxypropyl)-4-methyl-2-oxo-2H-chromen-7-yl 3,4-dimethoxybenzoate (CAS 672899-72-8), with molecular formula C22H22O7 and molecular weight 398.14 g/mol. IUPAC: [3-(2-hydroxypropyl)-4-methyl-2-oxochromen-7-yl] 3,4-dimethoxybenzoate.
Chemical Property Profile of 3-(2-hydroxypropyl)-4-methyl-2-oxo-2H-chromen-7-yl 3,4-dimethoxybenzoate
Property Insights of 3-(2-hydroxypropyl)-4-methyl-2-oxo-2H-chromen-7-yl 3,4-dimethoxybenzoate
The XLogP value of 3.26112 indicates that 3-(2-hydroxypropyl)-4-methyl-2-oxo-2H-chromen-7-yl 3,4-dimethoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-hydroxypropyl)-4-methyl-2-oxo-2H-chromen-7-yl 3,4-dimethoxybenzoate. Following Lipinski's Rule of Five, 3-(2-hydroxypropyl)-4-methyl-2-oxo-2H-chromen-7-yl 3,4-dimethoxybenzoate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(2-hydroxypropyl)-4-methyl-2-oxo-2H-chromen-7-yl 3,4-dimethoxybenzoate?
The CAS number of 3-(2-hydroxypropyl)-4-methyl-2-oxo-2H-chromen-7-yl 3,4-dimethoxybenzoate is 672899-72-8.
What is the molecular formula of 3-(2-hydroxypropyl)-4-methyl-2-oxo-2H-chromen-7-yl 3,4-dimethoxybenzoate?
The molecular formula of 3-(2-hydroxypropyl)-4-methyl-2-oxo-2H-chromen-7-yl 3,4-dimethoxybenzoate is C22H22O7.
What is the molecular weight of 3-(2-hydroxypropyl)-4-methyl-2-oxo-2H-chromen-7-yl 3,4-dimethoxybenzoate?
The molecular weight of 3-(2-hydroxypropyl)-4-methyl-2-oxo-2H-chromen-7-yl 3,4-dimethoxybenzoate is 398.14 g/mol.
Where can I buy 3-(2-hydroxypropyl)-4-methyl-2-oxo-2H-chromen-7-yl 3,4-dimethoxybenzoate?
You can request a quote for 3-(2-hydroxypropyl)-4-methyl-2-oxo-2H-chromen-7-yl 3,4-dimethoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-hydroxypropyl)-4-methyl-2-oxo-2H-chromen-7-yl 3,4-dimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-hydroxypropyl)-4-methyl-2-oxo-2H-chromen-7-yl 3,4-dimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.