对碘苯氨基甲酸乙酯
TL;DR: 对碘苯氨基甲酸乙酯 (CAS 77774-39-1) is a chemical compound with molecular formula C9H10INO2 and molecular weight 290.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
对碘苯氨基甲酸乙酯
ethyl N-(4-iodophenyl)carbamate
Also Known As: p-Iodophenyl urethane, ethyl N-(4-iodophenyl)carbamate, p-Iodocarbanilic acid ethyl ester, ethyl 4-iodophenylcarbamate, Ethyl (4-iodophenyl)carbamate
| Molecular Formula | C9H10INO2 |
|---|---|
| Molecular Weight | 290.98 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 290.97562 |
| Heavy Atoms | 13 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 77774-39-1 |
|---|---|
| SMILES | CCOC(=O)NC1=CC=C(C=C1)I |
| InChIKey | JUQOQFNQIBKYRA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
对碘苯氨基甲酸乙酯 (CAS 77774-39-1), with molecular formula C9H10INO2 and molecular weight 290.98 g/mol. IUPAC: ethyl N-(4-iodophenyl)carbamate.
Chemical Property Profile of 对碘苯氨基甲酸乙酯
Property Insights of 对碘苯氨基甲酸乙酯
The XLogP value of 3.0 indicates that 对碘苯氨基甲酸乙酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, 对碘苯氨基甲酸乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 对碘苯氨基甲酸乙酯 has 1 hydrogen bond donor(s) and 2 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 对碘苯氨基甲酸乙酯?
The CAS number of 对碘苯氨基甲酸乙酯 is 77774-39-1.
What is the molecular formula of 对碘苯氨基甲酸乙酯?
The molecular formula of 对碘苯氨基甲酸乙酯 is C9H10INO2.
What is the molecular weight of 对碘苯氨基甲酸乙酯?
The molecular weight of 对碘苯氨基甲酸乙酯 is 290.98 g/mol.
Where can I buy 对碘苯氨基甲酸乙酯?
You can request a quote for 对碘苯氨基甲酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 对碘苯氨基甲酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 对碘苯氨基甲酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.