Malonic acid, 2-iodoethyl ester, methyl ester
TL;DR: Malonic acid, 2-iodoethyl ester, methyl ester (CAS 131072-44-1) is a chemical compound with molecular formula C6H9IO4 and molecular weight 271.95456 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-O-(2-iodoethyl) 1-O-methyl propanedioate
Also Known As: Methyl (2-iodo-ethyl) malonate, 1-(2-Iodoethyl) 3-methyl malonate #, Malonic acid, 2-iodoethyl ester, methyl ester, 3-O-(2-iodoethyl) 1-O-methyl propanedioate
Technical Specifications
| Molecular Formula | C6H9IO4 |
| Molecular Weight | 271.95456 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 271.95456 Da |
| Heavy Atoms | 11 |
| Complexity | 146.0 |
| SMILES | COC(=O)CC(=O)OCCI |
| InChIKey | XOFFCOZVSOKZGY-UHFFFAOYSA-N |
Chemical Property Profile of Malonic acid, 2-iodoethyl ester, methyl ester
Property Insights of Malonic acid, 2-iodoethyl ester, methyl ester
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Malonic acid, 2-iodoethyl ester, methyl ester. With a topological polar surface area (TPSA) of 52.6 Ų, Malonic acid, 2-iodoethyl ester, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Malonic acid, 2-iodoethyl ester, methyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Malonic acid, 2-iodoethyl ester, methyl ester?
The CAS number of Malonic acid, 2-iodoethyl ester, methyl ester is 131072-44-1.
What is the molecular formula of Malonic acid, 2-iodoethyl ester, methyl ester?
The molecular formula of Malonic acid, 2-iodoethyl ester, methyl ester is C6H9IO4.
What is the molecular weight of Malonic acid, 2-iodoethyl ester, methyl ester?
The molecular weight of Malonic acid, 2-iodoethyl ester, methyl ester is 271.95456 g/mol.
Where can I buy Malonic acid, 2-iodoethyl ester, methyl ester?
You can request a quote for Malonic acid, 2-iodoethyl ester, methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Malonic acid, 2-iodoethyl ester, methyl ester?
Yes, CoreyChem provides custom synthesis services for Malonic acid, 2-iodoethyl ester, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.