Iodocyanoacetylene
TL;DR: Iodocyanoacetylene (CAS 2003-32-9) is a chemical compound with molecular formula C(#CI)C#N and molecular weight 176.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-iodoprop-2-ynenitrile
Also Known As: Iodocyanoacetylene, IC.equiv.CCN, 3-iodoprop-2-ynenitrile, 3-Iodopropiolonitrile, 3-Iodo-2-propynenitrile
| Molecular Formula | C(#CI)C#N |
|---|---|
| Molecular Weight | 176.91 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 176.90755 |
| Heavy Atoms | 5 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 2003-32-9 |
|---|---|
| SMILES | C(#CI)C#N |
| InChIKey | MLKSRQZKJPGQQH-UHFFFAOYSA-N |
Product Overview
Iodocyanoacetylene (CAS 2003-32-9), with molecular formula C(#CI)C#N and molecular weight 176.91 g/mol. IUPAC: 3-iodoprop-2-ynenitrile.
Chemical Property Profile of Iodocyanoacetylene
Property Insights of Iodocyanoacetylene
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Iodocyanoacetylene. With a topological polar surface area (TPSA) of 23.8 Ų, Iodocyanoacetylene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Iodocyanoacetylene has 0 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 Iodocyanoacetylene?
The CAS number of Iodocyanoacetylene is 2003-32-9.
What is the molecular formula of Iodocyanoacetylene?
The molecular formula of Iodocyanoacetylene is C(#CI)C#N.
What is the molecular weight of Iodocyanoacetylene?
The molecular weight of Iodocyanoacetylene is 176.91 g/mol.
Where can I buy Iodocyanoacetylene?
You can request a quote for Iodocyanoacetylene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Iodocyanoacetylene?
Yes, KEHONG BIO provides custom synthesis services for Iodocyanoacetylene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.