Ethyl 5-(2-bromoethoxy)-2-iodobenzoate
TL;DR: Ethyl 5-(2-bromoethoxy)-2-iodobenzoate (CAS 99665-71-1) is a chemical compound with molecular formula C11H12BrIO3 and molecular weight 397.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(2-bromoethoxy)-2-iodobenzoate
Also Known As: ethyl 5-(2-bromoethoxy)-2-iodobenzoate, Ethyl 5-(2-bromoethoxy)-2-iodo-benzoate
| Molecular Formula | C11H12BrIO3 |
|---|---|
| Molecular Weight | 397.90 g/mol |
| LogP | 3.2416 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 397.90146 |
| Heavy Atoms | 16 |
| Complexity | 368.24734 |
Chemical Identifiers
| CAS Number | 99665-71-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(C=CC(=C1)OCCBr)I |
Product Overview
Ethyl 5-(2-bromoethoxy)-2-iodobenzoate (CAS 99665-71-1), with molecular formula C11H12BrIO3 and molecular weight 397.90 g/mol. IUPAC: ethyl 5-(2-bromoethoxy)-2-iodobenzoate.
Chemical Property Profile of Ethyl 5-(2-bromoethoxy)-2-iodobenzoate
Property Insights of Ethyl 5-(2-bromoethoxy)-2-iodobenzoate
The XLogP value of 3.2416 indicates that Ethyl 5-(2-bromoethoxy)-2-iodobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, Ethyl 5-(2-bromoethoxy)-2-iodobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 5-(2-bromoethoxy)-2-iodobenzoate has 0 hydrogen bond donor(s) and 3 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 Ethyl 5-(2-bromoethoxy)-2-iodobenzoate?
The CAS number of Ethyl 5-(2-bromoethoxy)-2-iodobenzoate is 99665-71-1.
What is the molecular formula of Ethyl 5-(2-bromoethoxy)-2-iodobenzoate?
The molecular formula of Ethyl 5-(2-bromoethoxy)-2-iodobenzoate is C11H12BrIO3.
What is the molecular weight of Ethyl 5-(2-bromoethoxy)-2-iodobenzoate?
The molecular weight of Ethyl 5-(2-bromoethoxy)-2-iodobenzoate is 397.90 g/mol.
Where can I buy Ethyl 5-(2-bromoethoxy)-2-iodobenzoate?
You can request a quote for Ethyl 5-(2-bromoethoxy)-2-iodobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-(2-bromoethoxy)-2-iodobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-(2-bromoethoxy)-2-iodobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.