Benzoic acid, 4-fluoro-3-iodo-, ethyl ester
TL;DR: Benzoic acid, 4-fluoro-3-iodo-, ethyl ester (CAS 618-93-9) is a chemical compound with molecular formula C9H8FIO2 and molecular weight 293.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-fluoro-3-iodobenzoate
Also Known As: ethyl 4-fluoro-3-iodobenzoate, Ethyl 3-iodo-4-fluorobenzoate, 4-FLUORO-3-IODOBENZOIC ACID ETHYL ESTER, BENZOIC ACID, 4-FLUORO-3-IODO-, ETHYL ESTER, 4-Fluoro-3-iodobenzoicacidethylester
| Molecular Formula | C9H8FIO2 |
|---|---|
| Molecular Weight | 293.96 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 293.95532 |
| Heavy Atoms | 13 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 618-93-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=C(C=C1)F)I |
| InChIKey | QEUVGNOTLWOYDH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 4-fluoro-3-iodo-, ethyl ester (CAS 618-93-9), with molecular formula C9H8FIO2 and molecular weight 293.96 g/mol. IUPAC: ethyl 4-fluoro-3-iodobenzoate.
Chemical Property Profile of Benzoic acid, 4-fluoro-3-iodo-, ethyl ester
Property Insights of Benzoic acid, 4-fluoro-3-iodo-, ethyl ester
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-fluoro-3-iodo-, ethyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Benzoic acid, 4-fluoro-3-iodo-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-fluoro-3-iodo-, ethyl ester 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 Benzoic acid, 4-fluoro-3-iodo-, ethyl ester?
The CAS number of Benzoic acid, 4-fluoro-3-iodo-, ethyl ester is 618-93-9.
What is the molecular formula of Benzoic acid, 4-fluoro-3-iodo-, ethyl ester?
The molecular formula of Benzoic acid, 4-fluoro-3-iodo-, ethyl ester is C9H8FIO2.
What is the molecular weight of Benzoic acid, 4-fluoro-3-iodo-, ethyl ester?
The molecular weight of Benzoic acid, 4-fluoro-3-iodo-, ethyl ester is 293.96 g/mol.
Where can I buy Benzoic acid, 4-fluoro-3-iodo-, ethyl ester?
You can request a quote for Benzoic acid, 4-fluoro-3-iodo-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-fluoro-3-iodo-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-fluoro-3-iodo-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.