![ethyl N-{2-cyano-3-[(5-iodo-2-pyridinyl)amino]acryloyl}carbamate structure](/static/products/3384/338401-04-0.webp)
ethyl N-{2-cyano-3-[(5-iodo-2-pyridinyl)amino]acryloyl}carbamate
TL;DR: ethyl N-{2-cyano-3-[(5-iodo-2-pyridinyl)amino]acryloyl}carbamate (CAS 338401-04-0) is a chemical compound with molecular formula C12H11IN4O3 and molecular weight 385.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[2-cyano-3-[(5-iodo-2-pyridinyl)amino]prop-2-enoyl]carbamate
Also Known As: Bionet1_002903, ethyl N-{2-cyano-3-[(5-iodo-2-pyridinyl)amino]acryloyl}carbamate, ethyl N-[2-cyano-3-[(5-iodopyridin-2-yl)amino]prop-2-enoyl]carbamate
| Molecular Formula | C12H11IN4O3 |
|---|---|
| Molecular Weight | 385.99 g/mol |
| LogP | 1.77828 |
| Topological Polar Surface Area | 104.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 385.98758 |
| Heavy Atoms | 20 |
| Complexity | 563.0603 |
Chemical Identifiers
| CAS Number | 338401-04-0 |
|---|---|
| SMILES | CCOC(=O)NC(=O)C(=CNC1=NC=C(C=C1)I)C#N |
Product Overview
ethyl N-{2-cyano-3-[(5-iodo-2-pyridinyl)amino]acryloyl}carbamate (CAS 338401-04-0), with molecular formula C12H11IN4O3 and molecular weight 385.99 g/mol. IUPAC: ethyl N-[2-cyano-3-[(5-iodo-2-pyridinyl)amino]prop-2-enoyl]carbamate.
Chemical Property Profile of ethyl N-{2-cyano-3-[(5-iodo-2-pyridinyl)amino]acryloyl}carbamate
Property Insights of ethyl N-{2-cyano-3-[(5-iodo-2-pyridinyl)amino]acryloyl}carbamate
The XLogP value of 1.77828 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl N-{2-cyano-3-[(5-iodo-2-pyridinyl)amino]acryloyl}carbamate. The TPSA of 104.11 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl N-{2-cyano-3-[(5-iodo-2-pyridinyl)amino]acryloyl}carbamate. Following Lipinski's Rule of Five, ethyl N-{2-cyano-3-[(5-iodo-2-pyridinyl)amino]acryloyl}carbamate has 2 hydrogen bond donor(s) and 6 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 ethyl N-{2-cyano-3-[(5-iodo-2-pyridinyl)amino]acryloyl}carbamate?
The CAS number of ethyl N-{2-cyano-3-[(5-iodo-2-pyridinyl)amino]acryloyl}carbamate is 338401-04-0.
What is the molecular formula of ethyl N-{2-cyano-3-[(5-iodo-2-pyridinyl)amino]acryloyl}carbamate?
The molecular formula of ethyl N-{2-cyano-3-[(5-iodo-2-pyridinyl)amino]acryloyl}carbamate is C12H11IN4O3.
What is the molecular weight of ethyl N-{2-cyano-3-[(5-iodo-2-pyridinyl)amino]acryloyl}carbamate?
The molecular weight of ethyl N-{2-cyano-3-[(5-iodo-2-pyridinyl)amino]acryloyl}carbamate is 385.99 g/mol.
Where can I buy ethyl N-{2-cyano-3-[(5-iodo-2-pyridinyl)amino]acryloyl}carbamate?
You can request a quote for ethyl N-{2-cyano-3-[(5-iodo-2-pyridinyl)amino]acryloyl}carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl N-{2-cyano-3-[(5-iodo-2-pyridinyl)amino]acryloyl}carbamate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-{2-cyano-3-[(5-iodo-2-pyridinyl)amino]acryloyl}carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.