碘乙酸乙二醇二酯
TL;DR: 碘乙酸乙二醇二酯 (CAS 5451-51-4) is a chemical compound with molecular formula C6H8I2O4 and molecular weight 397.85 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
碘乙酸乙二醇二酯
2-(2-iodoacetyl)oxyethyl 2-iodoacetate
Also Known As: ethylenebis, Ethylene bis(iodoacetate), Ethylene glycol, bis(iodoacetate), Acetic acid, iodo-, ethylene ester, Acetic acid, ethylene ester
| Molecular Formula | C6H8I2O4 |
|---|---|
| Molecular Weight | 397.85 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 397.8512 |
| Heavy Atoms | 12 |
| Complexity | 142.0 |
Chemical Identifiers
| CAS Number | 5451-51-4 |
|---|---|
| SMILES | C(COC(=O)CI)OC(=O)CI |
| InChIKey | KBCCFFGCRDUANG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
碘乙酸乙二醇二酯 (CAS 5451-51-4), with molecular formula C6H8I2O4 and molecular weight 397.85 g/mol. IUPAC: 2-(2-iodoacetyl)oxyethyl 2-iodoacetate.
Chemical Property Profile of 碘乙酸乙二醇二酯
Property Insights of 碘乙酸乙二醇二酯
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 碘乙酸乙二醇二酯. With a topological polar surface area (TPSA) of 52.6 Ų, 碘乙酸乙二醇二酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 碘乙酸乙二醇二酯 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
Frequently Asked Questions
What is the CAS number of 碘乙酸乙二醇二酯?
The CAS number of 碘乙酸乙二醇二酯 is 5451-51-4.
What is the molecular formula of 碘乙酸乙二醇二酯?
The molecular formula of 碘乙酸乙二醇二酯 is C6H8I2O4.
What is the molecular weight of 碘乙酸乙二醇二酯?
The molecular weight of 碘乙酸乙二醇二酯 is 397.85 g/mol.
Where can I buy 碘乙酸乙二醇二酯?
You can request a quote for 碘乙酸乙二醇二酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 碘乙酸乙二醇二酯?
Yes, KEHONG BIO provides custom synthesis services for 碘乙酸乙二醇二酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.