1-Iodo-1-heptyne
TL;DR: 1-Iodo-1-heptyne (CAS 54573-13-6) is a chemical compound with molecular formula C7H11I and molecular weight 221.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-iodohept-1-yne
Also Known As: 1-Iodo-1-heptyne, 1-iodohept-1-yne, 1-heptyne, 1-iodo-, 1-Heptynyl iodide, 1-iodo-hept-1-yne
| Molecular Formula | C7H11I |
|---|---|
| Molecular Weight | 221.99 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 221.99055 |
| Heavy Atoms | 8 |
| Complexity | 93.0 |
Chemical Identifiers
| CAS Number | 54573-13-6 |
|---|---|
| SMILES | CCCCCC#CI |
| InChIKey | XKDOBNOMGNPNHO-UHFFFAOYSA-N |
Product Overview
1-Iodo-1-heptyne (CAS 54573-13-6), with molecular formula C7H11I and molecular weight 221.99 g/mol. IUPAC: 1-iodohept-1-yne.
Chemical Property Profile of 1-Iodo-1-heptyne
Property Insights of 1-Iodo-1-heptyne
The XLogP value of 3.8 indicates that 1-Iodo-1-heptyne is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Iodo-1-heptyne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Iodo-1-heptyne 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-Iodo-1-heptyne?
The CAS number of 1-Iodo-1-heptyne is 54573-13-6.
What is the molecular formula of 1-Iodo-1-heptyne?
The molecular formula of 1-Iodo-1-heptyne is C7H11I.
What is the molecular weight of 1-Iodo-1-heptyne?
The molecular weight of 1-Iodo-1-heptyne is 221.99 g/mol.
Where can I buy 1-Iodo-1-heptyne?
You can request a quote for 1-Iodo-1-heptyne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Iodo-1-heptyne?
Yes, KEHONG BIO provides custom synthesis services for 1-Iodo-1-heptyne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.