Iodopropargyl alcohol
TL;DR: Iodopropargyl alcohol (CAS 54724-99-1) is a chemical compound with molecular formula C3H3IO and molecular weight 181.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-iodoprop-2-yn-1-ol
Also Known As: Iodopropargyl alcohol, iodpropargyl alcohol, 1-Iodo-2-propyn-1-ol, 1-iodoprop-2-yn-1-ol, 2-Propyn-1-ol, 1-iodo-
| Molecular Formula | C3H3IO |
|---|---|
| Molecular Weight | 181.92 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 181.92287 |
| Heavy Atoms | 5 |
| Complexity | 60.0 |
Chemical Identifiers
| CAS Number | 54724-99-1 |
|---|---|
| SMILES | C#CC(O)I |
| InChIKey | GILKVTZWTVOGJV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Iodopropargyl alcohol (CAS 54724-99-1), with molecular formula C3H3IO and molecular weight 181.92 g/mol. IUPAC: 1-iodoprop-2-yn-1-ol.
Chemical Property Profile of Iodopropargyl alcohol
Property Insights of Iodopropargyl alcohol
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Iodopropargyl alcohol. With a topological polar surface area (TPSA) of 20.2 Ų, Iodopropargyl alcohol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Iodopropargyl alcohol has 1 hydrogen bond donor(s) and 1 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 Iodopropargyl alcohol?
The CAS number of Iodopropargyl alcohol is 54724-99-1.
What is the molecular formula of Iodopropargyl alcohol?
The molecular formula of Iodopropargyl alcohol is C3H3IO.
What is the molecular weight of Iodopropargyl alcohol?
The molecular weight of Iodopropargyl alcohol is 181.92 g/mol.
Where can I buy Iodopropargyl alcohol?
You can request a quote for Iodopropargyl alcohol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Iodopropargyl alcohol?
Yes, KEHONG BIO provides custom synthesis services for Iodopropargyl alcohol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.