Acetic acid, iodo-, 1,2-phenylene ester
TL;DR: Acetic acid, iodo-, 1,2-phenylene ester (CAS 64381-84-6) is a chemical compound with molecular formula C10H8I2O4 and molecular weight 445.85 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2-iodoacetyl)oxyphenyl] 2-iodoacetate
Also Known As: 1,2-Phenylene iodoacetate, 1,2-Phenylene bis(iodoacetate), Acetic acid, iodo-, 1,2-phenylene ester, [2-(2-iodoacetyl)oxyphenyl] 2-iodoacetate
| Molecular Formula | C10H8I2O4 |
|---|---|
| Molecular Weight | 445.85 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 445.8512 |
| Heavy Atoms | 16 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 64381-84-6 |
|---|---|
| SMILES | C1=CC=C(C(=C1)OC(=O)CI)OC(=O)CI |
| InChIKey | IHMHGYWGQHGRCJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetic acid, iodo-, 1,2-phenylene ester (CAS 64381-84-6), with molecular formula C10H8I2O4 and molecular weight 445.85 g/mol. IUPAC: [2-(2-iodoacetyl)oxyphenyl] 2-iodoacetate.
Chemical Property Profile of Acetic acid, iodo-, 1,2-phenylene ester
Property Insights of Acetic acid, iodo-, 1,2-phenylene ester
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, iodo-, 1,2-phenylene ester. With a topological polar surface area (TPSA) of 52.6 Ų, Acetic acid, iodo-, 1,2-phenylene ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, iodo-, 1,2-phenylene 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
Frequently Asked Questions
What is the CAS number of Acetic acid, iodo-, 1,2-phenylene ester?
The CAS number of Acetic acid, iodo-, 1,2-phenylene ester is 64381-84-6.
What is the molecular formula of Acetic acid, iodo-, 1,2-phenylene ester?
The molecular formula of Acetic acid, iodo-, 1,2-phenylene ester is C10H8I2O4.
What is the molecular weight of Acetic acid, iodo-, 1,2-phenylene ester?
The molecular weight of Acetic acid, iodo-, 1,2-phenylene ester is 445.85 g/mol.
Where can I buy Acetic acid, iodo-, 1,2-phenylene ester?
You can request a quote for Acetic acid, iodo-, 1,2-phenylene ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, iodo-, 1,2-phenylene ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, iodo-, 1,2-phenylene ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.