![ethyl N-[3-(4-acetylanilino)-2-cyanoacryloyl]carbamate structure](/static/products/4778/477853-57-9.webp)
ethyl N-[3-(4-acetylanilino)-2-cyanoacryloyl]carbamate
TL;DR: ethyl N-[3-(4-acetylanilino)-2-cyanoacryloyl]carbamate (CAS 477853-57-9) is a chemical compound with molecular formula C15H15N3O4 and molecular weight 301.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[(Z)-3-(4-acetylanilino)-2-cyanoprop-2-enoyl]carbamate
Also Known As: ethyl N-[3-(4-acetylanilino)-2-cyanoacryloyl]carbamate, 11E-948, ethyl N-[(2Z)-2-{[(4-acetylphenyl)amino]methylidene}-2-cyanoacetyl]carbamate, ethyl N-[(Z)-3-(4-acetylanilino)-2-cyanoprop-2-enoyl]carbamate, ethyl N-[(Z)-3-(4-acetylanilino)-2-cyano-prop-2-enoyl]carbamate
| Molecular Formula | C15H15N3O4 |
|---|---|
| Molecular Weight | 301.11 g/mol |
| LogP | 1.98128 |
| Topological Polar Surface Area | 108.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 301.10626 |
| Heavy Atoms | 22 |
| Complexity | 641.7466 |
Chemical Identifiers
| CAS Number | 477853-57-9 |
|---|---|
| SMILES | CCOC(=O)NC(=O)/C(=C\NC1=CC=C(C=C1)C(=O)C)/C#N |
Product Overview
ethyl N-[3-(4-acetylanilino)-2-cyanoacryloyl]carbamate (CAS 477853-57-9), with molecular formula C15H15N3O4 and molecular weight 301.11 g/mol. IUPAC: ethyl N-[(Z)-3-(4-acetylanilino)-2-cyanoprop-2-enoyl]carbamate.
Chemical Property Profile of ethyl N-[3-(4-acetylanilino)-2-cyanoacryloyl]carbamate
Property Insights of ethyl N-[3-(4-acetylanilino)-2-cyanoacryloyl]carbamate
The XLogP value of 1.98128 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl N-[3-(4-acetylanilino)-2-cyanoacryloyl]carbamate. The TPSA of 108.29 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl N-[3-(4-acetylanilino)-2-cyanoacryloyl]carbamate. Following Lipinski's Rule of Five, ethyl N-[3-(4-acetylanilino)-2-cyanoacryloyl]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-[3-(4-acetylanilino)-2-cyanoacryloyl]carbamate?
The CAS number of ethyl N-[3-(4-acetylanilino)-2-cyanoacryloyl]carbamate is 477853-57-9.
What is the molecular formula of ethyl N-[3-(4-acetylanilino)-2-cyanoacryloyl]carbamate?
The molecular formula of ethyl N-[3-(4-acetylanilino)-2-cyanoacryloyl]carbamate is C15H15N3O4.
What is the molecular weight of ethyl N-[3-(4-acetylanilino)-2-cyanoacryloyl]carbamate?
The molecular weight of ethyl N-[3-(4-acetylanilino)-2-cyanoacryloyl]carbamate is 301.11 g/mol.
Where can I buy ethyl N-[3-(4-acetylanilino)-2-cyanoacryloyl]carbamate?
You can request a quote for ethyl N-[3-(4-acetylanilino)-2-cyanoacryloyl]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-[3-(4-acetylanilino)-2-cyanoacryloyl]carbamate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-[3-(4-acetylanilino)-2-cyanoacryloyl]carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.