![ethyl N-(2-cyano-2-{[(3-cyanothiophen-2-yl)amino]methylidene}acetyl)carbamate structure](/static/products/3387/338777-39-2.webp)
ethyl N-(2-cyano-2-{[(3-cyanothiophen-2-yl)amino]methylidene}acetyl)carbamate
TL;DR: ethyl N-(2-cyano-2-{[(3-cyanothiophen-2-yl)amino]methylidene}acetyl)carbamate (CAS 338777-39-2) is a chemical compound with molecular formula C12H10N4O3S and molecular weight 290.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[2-cyano-3-[(3-cyanothiophen-2-yl)amino]prop-2-enoyl]carbamate
Also Known As: ethyl N-(2-cyano-2-{[(3-cyanothiophen-2-yl)amino]methylidene}acetyl)carbamate, Ethyl N-[2-cyano-3-[(3-cyanothiophen-2-yl)amino]prop-2-enoyl]carbamate, ethyl N-{(E)-2-cyano-3-[(3-cyano-2-thienyl)amino]-2-propenoyl}carbamate
| Molecular Formula | C12H10N4O3S |
|---|---|
| Molecular Weight | 290.05 g/mol |
| LogP | 1.71186 |
| Topological Polar Surface Area | 115.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 290.04736 |
| Heavy Atoms | 20 |
| Complexity | 621.3823 |
Chemical Identifiers
| CAS Number | 338777-39-2 |
|---|---|
| SMILES | CCOC(=O)NC(=O)C(=CNC1=C(C=CS1)C#N)C#N |
Product Overview
ethyl N-(2-cyano-2-{[(3-cyanothiophen-2-yl)amino]methylidene}acetyl)carbamate (CAS 338777-39-2), with molecular formula C12H10N4O3S and molecular weight 290.05 g/mol. IUPAC: ethyl N-[2-cyano-3-[(3-cyanothiophen-2-yl)amino]prop-2-enoyl]carbamate.
Chemical Property Profile of ethyl N-(2-cyano-2-{[(3-cyanothiophen-2-yl)amino]methylidene}acetyl)carbamate
Property Insights of ethyl N-(2-cyano-2-{[(3-cyanothiophen-2-yl)amino]methylidene}acetyl)carbamate
The XLogP value of 1.71186 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl N-(2-cyano-2-{[(3-cyanothiophen-2-yl)amino]methylidene}acetyl)carbamate. The TPSA of 115.01 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl N-(2-cyano-2-{[(3-cyanothiophen-2-yl)amino]methylidene}acetyl)carbamate. Following Lipinski's Rule of Five, ethyl N-(2-cyano-2-{[(3-cyanothiophen-2-yl)amino]methylidene}acetyl)carbamate has 2 hydrogen bond donor(s) and 7 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-2-{[(3-cyanothiophen-2-yl)amino]methylidene}acetyl)carbamate?
The CAS number of ethyl N-(2-cyano-2-{[(3-cyanothiophen-2-yl)amino]methylidene}acetyl)carbamate is 338777-39-2.
What is the molecular formula of ethyl N-(2-cyano-2-{[(3-cyanothiophen-2-yl)amino]methylidene}acetyl)carbamate?
The molecular formula of ethyl N-(2-cyano-2-{[(3-cyanothiophen-2-yl)amino]methylidene}acetyl)carbamate is C12H10N4O3S.
What is the molecular weight of ethyl N-(2-cyano-2-{[(3-cyanothiophen-2-yl)amino]methylidene}acetyl)carbamate?
The molecular weight of ethyl N-(2-cyano-2-{[(3-cyanothiophen-2-yl)amino]methylidene}acetyl)carbamate is 290.05 g/mol.
Where can I buy ethyl N-(2-cyano-2-{[(3-cyanothiophen-2-yl)amino]methylidene}acetyl)carbamate?
You can request a quote for ethyl N-(2-cyano-2-{[(3-cyanothiophen-2-yl)amino]methylidene}acetyl)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-2-{[(3-cyanothiophen-2-yl)amino]methylidene}acetyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-(2-cyano-2-{[(3-cyanothiophen-2-yl)amino]methylidene}acetyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.