1-Propyne, 3-iodo-
TL;DR: 1-Propyne, 3-iodo- (CAS 76778-00-2) is a chemical compound with molecular formula C#CCI and molecular weight 165.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-iodoprop-1-yne
Also Known As: Propargyl iodide, 3-Iodopropyne, 3-iodoprop-1-yne, 1-Propyne, 3-iodo-, 3-Iodo-1-propyne
| Molecular Formula | C#CCI |
|---|---|
| Molecular Weight | 165.93 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 165.92795 |
| Heavy Atoms | 4 |
| Complexity | 38.0 |
Chemical Identifiers
| CAS Number | 76778-00-2 |
|---|---|
| SMILES | C#CCI |
| InChIKey | WGCICQJXVYFFCA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Propyne, 3-iodo- (CAS 76778-00-2), with molecular formula C#CCI and molecular weight 165.93 g/mol. IUPAC: 3-iodoprop-1-yne.
Chemical Property Profile of 1-Propyne, 3-iodo-
Property Insights of 1-Propyne, 3-iodo-
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Propyne, 3-iodo-. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Propyne, 3-iodo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Propyne, 3-iodo- has 0 hydrogen bond donor(s) and 0 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 1-Propyne, 3-iodo-?
The CAS number of 1-Propyne, 3-iodo- is 76778-00-2.
What is the molecular formula of 1-Propyne, 3-iodo-?
The molecular formula of 1-Propyne, 3-iodo- is C#CCI.
What is the molecular weight of 1-Propyne, 3-iodo-?
The molecular weight of 1-Propyne, 3-iodo- is 165.93 g/mol.
Where can I buy 1-Propyne, 3-iodo-?
You can request a quote for 1-Propyne, 3-iodo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Propyne, 3-iodo-?
Yes, KEHONG BIO provides custom synthesis services for 1-Propyne, 3-iodo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.