![2-cyano-N-ethyl-N-[(2-iodophenyl)methyl]acetamide structure](/static/products/158/158692-68-3.png)
2-cyano-N-ethyl-N-[(2-iodophenyl)methyl]acetamide
TL;DR: 2-cyano-N-ethyl-N-[(2-iodophenyl)methyl]acetamide (CAS 158692-68-3) is a chemical compound with molecular formula C12H13IN2O and molecular weight 328.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyano-N-ethyl-N-[(2-iodophenyl)methyl]acetamide
Also Known As: N-(2-Iodobenzyl)-N-ethylcyanoacetamide, 2-cyano-N-ethyl-N-[(2-iodophenyl)methyl]acetamide
| Molecular Formula | C12H13IN2O |
|---|---|
| Molecular Weight | 328.01 g/mol |
| LogP | 2.55338 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 328.00726 |
| Heavy Atoms | 16 |
| Complexity | 411.72495 |
Chemical Identifiers
| CAS Number | 158692-68-3 |
|---|---|
| SMILES | CCN(CC1=CC=CC=C1I)C(=O)CC#N |
Product Overview
2-cyano-N-ethyl-N-[(2-iodophenyl)methyl]acetamide (CAS 158692-68-3), with molecular formula C12H13IN2O and molecular weight 328.01 g/mol. IUPAC: 2-cyano-N-ethyl-N-[(2-iodophenyl)methyl]acetamide.
Chemical Property Profile of 2-cyano-N-ethyl-N-[(2-iodophenyl)methyl]acetamide
Property Insights of 2-cyano-N-ethyl-N-[(2-iodophenyl)methyl]acetamide
The XLogP value of 2.55338 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-cyano-N-ethyl-N-[(2-iodophenyl)methyl]acetamide. With a topological polar surface area (TPSA) of 44.1 Ų, 2-cyano-N-ethyl-N-[(2-iodophenyl)methyl]acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-cyano-N-ethyl-N-[(2-iodophenyl)methyl]acetamide has 0 hydrogen bond donor(s) and 2 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-cyano-N-ethyl-N-[(2-iodophenyl)methyl]acetamide?
The CAS number of 2-cyano-N-ethyl-N-[(2-iodophenyl)methyl]acetamide is 158692-68-3.
What is the molecular formula of 2-cyano-N-ethyl-N-[(2-iodophenyl)methyl]acetamide?
The molecular formula of 2-cyano-N-ethyl-N-[(2-iodophenyl)methyl]acetamide is C12H13IN2O.
What is the molecular weight of 2-cyano-N-ethyl-N-[(2-iodophenyl)methyl]acetamide?
The molecular weight of 2-cyano-N-ethyl-N-[(2-iodophenyl)methyl]acetamide is 328.01 g/mol.
Where can I buy 2-cyano-N-ethyl-N-[(2-iodophenyl)methyl]acetamide?
You can request a quote for 2-cyano-N-ethyl-N-[(2-iodophenyl)methyl]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-cyano-N-ethyl-N-[(2-iodophenyl)methyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-cyano-N-ethyl-N-[(2-iodophenyl)methyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.