Malonic acid, (1,4-benzodioxan-2-yl)methyl-, diethyl ester
TL;DR: Malonic acid, (1,4-benzodioxan-2-yl)methyl-, diethyl ester (CAS 29554-02-7) is a chemical compound with molecular formula C16H20O6 and molecular weight 308.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)propanedioate
Also Known As: 1,4-Benzodioxan-2-yl-methylmalonic acid, diethyl ester, MALONIC ACID, (1,4-BENZODIOXAN-2-YL)METHYL-, DIETHYL ESTER, (1,4-Benzodioxan-2-yl)methylmalonic acid diethyl ester, diethyl 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)propanedioate, Diethyl 2-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)malonate
| Molecular Formula | C16H20O6 |
|---|---|
| Molecular Weight | 308.13 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 308.12598 |
| Heavy Atoms | 22 |
| Complexity | 365.0 |
Chemical Identifiers
| CAS Number | 29554-02-7 |
|---|---|
| SMILES | CCOC(=O)C(CC1COC2=CC=CC=C2O1)C(=O)OCC |
| InChIKey | BRPMRKYCHLIEMM-UHFFFAOYSA-N |
Product Overview
Malonic acid, (1,4-benzodioxan-2-yl)methyl-, diethyl ester (CAS 29554-02-7), with molecular formula C16H20O6 and molecular weight 308.13 g/mol. IUPAC: diethyl 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)propanedioate.
Chemical Property Profile of Malonic acid, (1,4-benzodioxan-2-yl)methyl-, diethyl ester
Property Insights of Malonic acid, (1,4-benzodioxan-2-yl)methyl-, diethyl ester
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Malonic acid, (1,4-benzodioxan-2-yl)methyl-, diethyl ester. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Malonic acid, (1,4-benzodioxan-2-yl)methyl-, diethyl ester. Following Lipinski's Rule of Five, Malonic acid, (1,4-benzodioxan-2-yl)methyl-, diethyl ester has 0 hydrogen bond donor(s) and 6 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 Malonic acid, (1,4-benzodioxan-2-yl)methyl-, diethyl ester?
The CAS number of Malonic acid, (1,4-benzodioxan-2-yl)methyl-, diethyl ester is 29554-02-7.
What is the molecular formula of Malonic acid, (1,4-benzodioxan-2-yl)methyl-, diethyl ester?
The molecular formula of Malonic acid, (1,4-benzodioxan-2-yl)methyl-, diethyl ester is C16H20O6.
What is the molecular weight of Malonic acid, (1,4-benzodioxan-2-yl)methyl-, diethyl ester?
The molecular weight of Malonic acid, (1,4-benzodioxan-2-yl)methyl-, diethyl ester is 308.13 g/mol.
Where can I buy Malonic acid, (1,4-benzodioxan-2-yl)methyl-, diethyl ester?
You can request a quote for Malonic acid, (1,4-benzodioxan-2-yl)methyl-, diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Malonic acid, (1,4-benzodioxan-2-yl)methyl-, diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Malonic acid, (1,4-benzodioxan-2-yl)methyl-, diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.