1,2-Ethanediyl dimethyl phthalate
TL;DR: 1,2-Ethanediyl dimethyl phthalate (CAS 2055-00-7) is a chemical compound with molecular formula C20H18O8 and molecular weight 386.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-O-[2-(2-methoxycarbonylbenzoyl)oxyethyl] 1-O-methyl benzene-1,2-dicarboxylate
Also Known As: Titanium(4+) phosphate, 1,2-Ethanediyl dimethyl phthalate, 1,2-ethanediyldimethylphthalate, 2,2'-ethane-1,2-diyl dimethyl dibenzene-1,2-dicarboxylate, Bis[2-(methoxycarbonyl)benzoic acid]ethylene ester
| Molecular Formula | C20H18O8 |
|---|---|
| Molecular Weight | 386.10 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 386.10016 |
| Heavy Atoms | 28 |
| Complexity | 523.0 |
Chemical Identifiers
| CAS Number | 2055-00-7 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1C(=O)OCCOC(=O)C2=CC=CC=C2C(=O)OC |
| InChIKey | VMTRIKRTABFUOS-UHFFFAOYSA-N |
Product Overview
1,2-Ethanediyl dimethyl phthalate (CAS 2055-00-7), with molecular formula C20H18O8 and molecular weight 386.10 g/mol. IUPAC: 2-O-[2-(2-methoxycarbonylbenzoyl)oxyethyl] 1-O-methyl benzene-1,2-dicarboxylate.
Chemical Property Profile of 1,2-Ethanediyl dimethyl phthalate
Property Insights of 1,2-Ethanediyl dimethyl phthalate
The XLogP value of 3.0 indicates that 1,2-Ethanediyl dimethyl phthalate 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 1,2-Ethanediyl dimethyl phthalate. Following Lipinski's Rule of Five, 1,2-Ethanediyl dimethyl phthalate has 0 hydrogen bond donor(s) and 8 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 1,2-Ethanediyl dimethyl phthalate?
The CAS number of 1,2-Ethanediyl dimethyl phthalate is 2055-00-7.
What is the molecular formula of 1,2-Ethanediyl dimethyl phthalate?
The molecular formula of 1,2-Ethanediyl dimethyl phthalate is C20H18O8.
What is the molecular weight of 1,2-Ethanediyl dimethyl phthalate?
The molecular weight of 1,2-Ethanediyl dimethyl phthalate is 386.10 g/mol.
Where can I buy 1,2-Ethanediyl dimethyl phthalate?
You can request a quote for 1,2-Ethanediyl dimethyl phthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Ethanediyl dimethyl phthalate?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Ethanediyl dimethyl phthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.