1,3,3,5-Pentanetetracarboxylic acid, 3,3-diethyl 1,5-dimethyl ester
TL;DR: 1,3,3,5-Pentanetetracarboxylic acid, 3,3-diethyl 1,5-dimethyl ester (CAS 113203-28-4) is a chemical compound with molecular formula C15H24O8 and molecular weight 332.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-O,3-O-diethyl 1-O,5-O-dimethyl pentane-1,3,3,5-tetracarboxylate
Also Known As: 1,3,3,5-Pentanetetracarboxylic acid, 3,3-diethyl 1,5-dimethyl ester, J2.473.144H, 3,3-diethyl 1,5-dimethyl pentane-1,3,3,5-tetracarboxylate, 4,4-Bis(ethoxycarbonyl)heptanedioic acid dimethyl ester, 3-O,3-O-diethyl 1-O,5-O-dimethyl pentane-1,3,3,5-tetracarboxylate
| Molecular Formula | C15H24O8 |
|---|---|
| Molecular Weight | 332.15 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 14 |
| Exact Mass | 332.14713 |
| Heavy Atoms | 23 |
| Complexity | 389.0 |
Chemical Identifiers
| CAS Number | 113203-28-4 |
|---|---|
| SMILES | CCOC(=O)C(CCC(=O)OC)(CCC(=O)OC)C(=O)OCC |
| InChIKey | NQXPUCNKHCSPRK-UHFFFAOYSA-N |
Product Overview
1,3,3,5-Pentanetetracarboxylic acid, 3,3-diethyl 1,5-dimethyl ester (CAS 113203-28-4), with molecular formula C15H24O8 and molecular weight 332.15 g/mol. IUPAC: 3-O,3-O-diethyl 1-O,5-O-dimethyl pentane-1,3,3,5-tetracarboxylate.
Chemical Property Profile of 1,3,3,5-Pentanetetracarboxylic acid, 3,3-diethyl 1,5-dimethyl ester
Property Insights of 1,3,3,5-Pentanetetracarboxylic acid, 3,3-diethyl 1,5-dimethyl ester
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,3,5-Pentanetetracarboxylic acid, 3,3-diethyl 1,5-dimethyl ester. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,3,5-Pentanetetracarboxylic acid, 3,3-diethyl 1,5-dimethyl ester. Following Lipinski's Rule of Five, 1,3,3,5-Pentanetetracarboxylic acid, 3,3-diethyl 1,5-dimethyl ester 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 1,3,3,5-Pentanetetracarboxylic acid, 3,3-diethyl 1,5-dimethyl ester?
The CAS number of 1,3,3,5-Pentanetetracarboxylic acid, 3,3-diethyl 1,5-dimethyl ester is 113203-28-4.
What is the molecular formula of 1,3,3,5-Pentanetetracarboxylic acid, 3,3-diethyl 1,5-dimethyl ester?
The molecular formula of 1,3,3,5-Pentanetetracarboxylic acid, 3,3-diethyl 1,5-dimethyl ester is C15H24O8.
What is the molecular weight of 1,3,3,5-Pentanetetracarboxylic acid, 3,3-diethyl 1,5-dimethyl ester?
The molecular weight of 1,3,3,5-Pentanetetracarboxylic acid, 3,3-diethyl 1,5-dimethyl ester is 332.15 g/mol.
Where can I buy 1,3,3,5-Pentanetetracarboxylic acid, 3,3-diethyl 1,5-dimethyl ester?
You can request a quote for 1,3,3,5-Pentanetetracarboxylic acid, 3,3-diethyl 1,5-dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,3,5-Pentanetetracarboxylic acid, 3,3-diethyl 1,5-dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,3,3,5-Pentanetetracarboxylic acid, 3,3-diethyl 1,5-dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.