3-碘-2-丙炔基氨基甲酸丁酯
TL;DR: 3-碘-2-丙炔基氨基甲酸丁酯 (CAS 55406-53-6) is a chemical compound with molecular formula C8H12INO2 and molecular weight 280.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-碘-2-丙炔基氨基甲酸丁酯
3-iodoprop-2-ynyl N-butylcarbamate
Also Known As: Iodocarb, Iodopropynyl butylcarbamate, Ipbc, Woodlife, 3-Iodo-2-propynyl butylcarbamate
| Molecular Formula | C8H12INO2 |
|---|---|
| Molecular Weight | 280.99 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 280.99127 |
| Heavy Atoms | 12 |
| Complexity | 192.0 |
| Melting Point | 66 °C |
| Density | 1.575 g/mL |
| Solubility | In water, 156 mg/L at 20 °C |
| Vapor Pressure | 0.0000525 [mmHg] |
Chemical Identifiers
| CAS Number | 55406-53-6 |
|---|---|
| SMILES | CCCCNC(=O)OCC#CI |
| InChIKey | WYVVKGNFXHOCQV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-碘-2-丙炔基氨基甲酸丁酯 (CAS 55406-53-6), with molecular formula C8H12INO2 and molecular weight 280.99 g/mol. IUPAC: 3-iodoprop-2-ynyl N-butylcarbamate.
Chemical Property Profile of 3-碘-2-丙炔基氨基甲酸丁酯
Property Insights of 3-碘-2-丙炔基氨基甲酸丁酯
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-碘-2-丙炔基氨基甲酸丁酯. With a topological polar surface area (TPSA) of 38.3 Ų, 3-碘-2-丙炔基氨基甲酸丁酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-碘-2-丙炔基氨基甲酸丁酯 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 3-碘-2-丙炔基氨基甲酸丁酯?
The CAS number of 3-碘-2-丙炔基氨基甲酸丁酯 is 55406-53-6.
What is the molecular formula of 3-碘-2-丙炔基氨基甲酸丁酯?
The molecular formula of 3-碘-2-丙炔基氨基甲酸丁酯 is C8H12INO2.
What is the molecular weight of 3-碘-2-丙炔基氨基甲酸丁酯?
The molecular weight of 3-碘-2-丙炔基氨基甲酸丁酯 is 280.99 g/mol.
Where can I buy 3-碘-2-丙炔基氨基甲酸丁酯?
You can request a quote for 3-碘-2-丙炔基氨基甲酸丁酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-碘-2-丙炔基氨基甲酸丁酯?
Yes, KEHONG BIO provides custom synthesis services for 3-碘-2-丙炔基氨基甲酸丁酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.