1,3-Dioxolane-4,4-diacetic acid, 5-oxo-, dimethyl ester
TL;DR: 1,3-Dioxolane-4,4-diacetic acid, 5-oxo-, dimethyl ester (CAS 77862-72-7) is a chemical compound with molecular formula C9H12O7 and molecular weight 232.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-(2-methoxy-2-oxoethyl)-5-oxo-1,3-dioxolan-4-yl]acetate
Also Known As: bis ester, 1,3-Dioxolane-4,4-diacetic acid, 5-oxo-, dimethyl ester, 5-Oxo-1,3-dioxolane-4,4-diacetic acid dimethyl ester, methyl 2-[4-(2-methoxy-2-oxoethyl)-5-oxo-1,3-dioxolan-4-yl]acetate, (5-Oxo-1,3-dioxolane-4,4-diyl)bis(acetic acid methyl) ester
| Molecular Formula | C9H12O7 |
|---|---|
| Molecular Weight | 232.06 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 88.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 232.0583 |
| Heavy Atoms | 16 |
| Complexity | 291.0 |
Chemical Identifiers
| CAS Number | 77862-72-7 |
|---|---|
| SMILES | COC(=O)CC1(C(=O)OCO1)CC(=O)OC |
| InChIKey | LUNFBLOSJFIJHC-UHFFFAOYSA-N |
Product Overview
1,3-Dioxolane-4,4-diacetic acid, 5-oxo-, dimethyl ester (CAS 77862-72-7), with molecular formula C9H12O7 and molecular weight 232.06 g/mol. IUPAC: methyl 2-[4-(2-methoxy-2-oxoethyl)-5-oxo-1,3-dioxolan-4-yl]acetate.
Chemical Property Profile of 1,3-Dioxolane-4,4-diacetic acid, 5-oxo-, dimethyl ester
Property Insights of 1,3-Dioxolane-4,4-diacetic acid, 5-oxo-, dimethyl ester
The XLogP value of -0.6 indicates that 1,3-Dioxolane-4,4-diacetic acid, 5-oxo-, dimethyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 88.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dioxolane-4,4-diacetic acid, 5-oxo-, dimethyl ester. Following Lipinski's Rule of Five, 1,3-Dioxolane-4,4-diacetic acid, 5-oxo-, dimethyl ester has 0 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 1,3-Dioxolane-4,4-diacetic acid, 5-oxo-, dimethyl ester?
The CAS number of 1,3-Dioxolane-4,4-diacetic acid, 5-oxo-, dimethyl ester is 77862-72-7.
What is the molecular formula of 1,3-Dioxolane-4,4-diacetic acid, 5-oxo-, dimethyl ester?
The molecular formula of 1,3-Dioxolane-4,4-diacetic acid, 5-oxo-, dimethyl ester is C9H12O7.
What is the molecular weight of 1,3-Dioxolane-4,4-diacetic acid, 5-oxo-, dimethyl ester?
The molecular weight of 1,3-Dioxolane-4,4-diacetic acid, 5-oxo-, dimethyl ester is 232.06 g/mol.
Where can I buy 1,3-Dioxolane-4,4-diacetic acid, 5-oxo-, dimethyl ester?
You can request a quote for 1,3-Dioxolane-4,4-diacetic acid, 5-oxo-, dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dioxolane-4,4-diacetic acid, 5-oxo-, dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dioxolane-4,4-diacetic acid, 5-oxo-, dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.