Ethyl 3-hydroxy-4-iodobutanoate
TL;DR: Ethyl 3-hydroxy-4-iodobutanoate (CAS 112083-27-9) is a chemical compound with molecular formula C6H11IO3 and molecular weight 257.97528 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 3-hydroxy-4-iodobutanoate
Also Known As: ethyl 3-hydroxy-4-iodobutanoate, Ethyl 3-hydroxy-4-iodo-butanoate, (S)-Ethyl 3-hydroxy-4-iodobutanoate, ethyl3-hydroxy-4-iodobutanoate, (R)-ethyl 3-hydroxy-4-iodobutyrate
Technical Specifications
| Molecular Formula | C6H11IO3 |
| Molecular Weight | 257.97528 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 257.97528 Da |
| Heavy Atoms | 10 |
| Complexity | 105.0 |
| SMILES | CCOC(=O)CC(CI)O |
| InChIKey | SMWBHOKQXGBYJN-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 3-hydroxy-4-iodobutanoate
Property Insights of Ethyl 3-hydroxy-4-iodobutanoate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-hydroxy-4-iodobutanoate. With a topological polar surface area (TPSA) of 46.5 Ų, Ethyl 3-hydroxy-4-iodobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-hydroxy-4-iodobutanoate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethyl 3-hydroxy-4-iodobutanoate?
The CAS number of Ethyl 3-hydroxy-4-iodobutanoate is 112083-27-9.
What is the molecular formula of Ethyl 3-hydroxy-4-iodobutanoate?
The molecular formula of Ethyl 3-hydroxy-4-iodobutanoate is C6H11IO3.
What is the molecular weight of Ethyl 3-hydroxy-4-iodobutanoate?
The molecular weight of Ethyl 3-hydroxy-4-iodobutanoate is 257.97528 g/mol.
Where can I buy Ethyl 3-hydroxy-4-iodobutanoate?
You can request a quote for Ethyl 3-hydroxy-4-iodobutanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 3-hydroxy-4-iodobutanoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 3-hydroxy-4-iodobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.