6-Iodo-2-hexyne
TL;DR: 6-Iodo-2-hexyne (CAS 28077-74-9) is a chemical compound with molecular formula C6H9I and molecular weight 207.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-iodohex-2-yne
Also Known As: 6-Iodo-2-hexyne, 6-iodohex-2-yne, 1-iodo-4-hexyne, 2-Hexyne, 6-iodo-, 6-Iodo-2-hexyne #
| Molecular Formula | C6H9I |
|---|---|
| Molecular Weight | 207.97 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 207.9749 |
| Heavy Atoms | 7 |
| Complexity | 82.0 |
Chemical Identifiers
| CAS Number | 28077-74-9 |
|---|---|
| SMILES | CC#CCCCI |
| InChIKey | NWLUWJOUBZCTRH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Iodo-2-hexyne (CAS 28077-74-9), with molecular formula C6H9I and molecular weight 207.97 g/mol. IUPAC: 6-iodohex-2-yne.
Chemical Property Profile of 6-Iodo-2-hexyne
Property Insights of 6-Iodo-2-hexyne
The XLogP value of 3.1 indicates that 6-Iodo-2-hexyne is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 6-Iodo-2-hexyne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Iodo-2-hexyne 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 6-Iodo-2-hexyne?
The CAS number of 6-Iodo-2-hexyne is 28077-74-9.
What is the molecular formula of 6-Iodo-2-hexyne?
The molecular formula of 6-Iodo-2-hexyne is C6H9I.
What is the molecular weight of 6-Iodo-2-hexyne?
The molecular weight of 6-Iodo-2-hexyne is 207.97 g/mol.
Where can I buy 6-Iodo-2-hexyne?
You can request a quote for 6-Iodo-2-hexyne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Iodo-2-hexyne?
Yes, KEHONG BIO provides custom synthesis services for 6-Iodo-2-hexyne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.