2-Iodocinnamonitrile
TL;DR: 2-Iodocinnamonitrile (CAS 200706-62-3) is a chemical compound with molecular formula C9H6IN and molecular weight 254.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-iodophenyl)prop-2-enenitrile
Also Known As: 2-IODOCINNAMONITRILE, 3-(2-iodophenyl)prop-2-enenitrile, 2-Propenenitrile, 3-(2-iodophenyl)-
| Molecular Formula | C9H6IN |
|---|---|
| Molecular Weight | 254.95 g/mol |
| LogP | 2.82798 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 254.9545 |
| Heavy Atoms | 11 |
| Complexity | 309.58392 |
Chemical Identifiers
| CAS Number | 200706-62-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C=CC#N)I |
Product Overview
2-Iodocinnamonitrile (CAS 200706-62-3), with molecular formula C9H6IN and molecular weight 254.95 g/mol. IUPAC: 3-(2-iodophenyl)prop-2-enenitrile.
Chemical Property Profile of 2-Iodocinnamonitrile
Property Insights of 2-Iodocinnamonitrile
The XLogP value of 2.82798 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Iodocinnamonitrile. With a topological polar surface area (TPSA) of 23.79 Ų, 2-Iodocinnamonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Iodocinnamonitrile 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 2-Iodocinnamonitrile?
The CAS number of 2-Iodocinnamonitrile is 200706-62-3.
What is the molecular formula of 2-Iodocinnamonitrile?
The molecular formula of 2-Iodocinnamonitrile is C9H6IN.
What is the molecular weight of 2-Iodocinnamonitrile?
The molecular weight of 2-Iodocinnamonitrile is 254.95 g/mol.
Where can I buy 2-Iodocinnamonitrile?
You can request a quote for 2-Iodocinnamonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Iodocinnamonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Iodocinnamonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.