4-羟基-3,5-二碘苯甲酸丁酯
TL;DR: 4-羟基-3,5-二碘苯甲酸丁酯 (CAS 51-38-7) is a chemical compound with molecular formula C11H12I2O3 and molecular weight 445.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-羟基-3,5-二碘苯甲酸丁酯
butyl 4-hydroxy-3,5-diiodobenzoate
Also Known As: Diobutil, Diobene, Butyl 4-hydroxy-3,5-diiodobenzoate, Butyl 3,5-diiodo-4-hydroxybenzoate, n-Butyl 4-hydroxy-3,5-diiodobenzoate
| Molecular Formula | C11H12I2O3 |
|---|---|
| Molecular Weight | 445.89 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 445.8876 |
| Heavy Atoms | 16 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 51-38-7 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC(=C(C(=C1)I)O)I |
| InChIKey | AKPGOBAFPMFHET-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-羟基-3,5-二碘苯甲酸丁酯 (CAS 51-38-7), with molecular formula C11H12I2O3 and molecular weight 445.89 g/mol. IUPAC: butyl 4-hydroxy-3,5-diiodobenzoate.
Chemical Property Profile of 4-羟基-3,5-二碘苯甲酸丁酯
Property Insights of 4-羟基-3,5-二碘苯甲酸丁酯
The XLogP value of 4.0 indicates that 4-羟基-3,5-二碘苯甲酸丁酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 4-羟基-3,5-二碘苯甲酸丁酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-羟基-3,5-二碘苯甲酸丁酯 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
Frequently Asked Questions
What is the CAS number of 4-羟基-3,5-二碘苯甲酸丁酯?
The CAS number of 4-羟基-3,5-二碘苯甲酸丁酯 is 51-38-7.
What is the molecular formula of 4-羟基-3,5-二碘苯甲酸丁酯?
The molecular formula of 4-羟基-3,5-二碘苯甲酸丁酯 is C11H12I2O3.
What is the molecular weight of 4-羟基-3,5-二碘苯甲酸丁酯?
The molecular weight of 4-羟基-3,5-二碘苯甲酸丁酯 is 445.89 g/mol.
Where can I buy 4-羟基-3,5-二碘苯甲酸丁酯?
You can request a quote for 4-羟基-3,5-二碘苯甲酸丁酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-羟基-3,5-二碘苯甲酸丁酯?
Yes, KEHONG BIO provides custom synthesis services for 4-羟基-3,5-二碘苯甲酸丁酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.