![ethyl N-[2-cyano-3-(3-pyridinylamino)acryloyl]carbamate structure](/static/products/1069/106949-17-1.webp)
ethyl N-[2-cyano-3-(3-pyridinylamino)acryloyl]carbamate
TL;DR: ethyl N-[2-cyano-3-(3-pyridinylamino)acryloyl]carbamate (CAS 106949-17-1) is a chemical compound with molecular formula C12H12N4O3 and molecular weight 260.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[(Z)-2-cyano-3-(pyridin-3-ylamino)prop-2-enoyl]carbamate
Also Known As: ethyl N-[2-cyano-3-(3-pyridinylamino)acryloyl]carbamate, ethyl N-[(Z)-2-cyano-3-(pyridin-3-ylamino)prop-2-enoyl]carbamate, 11E-946, ethyl N-[(2Z)-2-cyano-2-{[(pyridin-3-yl)amino]methylidene}acetyl]carbamate, ethylN-[(2Z)-2-cyano-2-{[(pyridin-3-yl)amino]methylidene}acetyl]carbamate
| Molecular Formula | C12H12N4O3 |
|---|---|
| Molecular Weight | 260.09 g/mol |
| LogP | 1.17368 |
| Topological Polar Surface Area | 104.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 260.09094 |
| Heavy Atoms | 19 |
| Complexity | 519.52606 |
Chemical Identifiers
| CAS Number | 106949-17-1 |
|---|---|
| SMILES | CCOC(=O)NC(=O)/C(=C\NC1=CN=CC=C1)/C#N |
Product Overview
ethyl N-[2-cyano-3-(3-pyridinylamino)acryloyl]carbamate (CAS 106949-17-1), with molecular formula C12H12N4O3 and molecular weight 260.09 g/mol. IUPAC: ethyl N-[(Z)-2-cyano-3-(pyridin-3-ylamino)prop-2-enoyl]carbamate.
Chemical Property Profile of ethyl N-[2-cyano-3-(3-pyridinylamino)acryloyl]carbamate
Property Insights of ethyl N-[2-cyano-3-(3-pyridinylamino)acryloyl]carbamate
The XLogP value of 1.17368 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl N-[2-cyano-3-(3-pyridinylamino)acryloyl]carbamate. The TPSA of 104.11 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl N-[2-cyano-3-(3-pyridinylamino)acryloyl]carbamate. Following Lipinski's Rule of Five, ethyl N-[2-cyano-3-(3-pyridinylamino)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-(3-pyridinylamino)acryloyl]carbamate?
The CAS number of ethyl N-[2-cyano-3-(3-pyridinylamino)acryloyl]carbamate is 106949-17-1.
What is the molecular formula of ethyl N-[2-cyano-3-(3-pyridinylamino)acryloyl]carbamate?
The molecular formula of ethyl N-[2-cyano-3-(3-pyridinylamino)acryloyl]carbamate is C12H12N4O3.
What is the molecular weight of ethyl N-[2-cyano-3-(3-pyridinylamino)acryloyl]carbamate?
The molecular weight of ethyl N-[2-cyano-3-(3-pyridinylamino)acryloyl]carbamate is 260.09 g/mol.
Where can I buy ethyl N-[2-cyano-3-(3-pyridinylamino)acryloyl]carbamate?
You can request a quote for ethyl N-[2-cyano-3-(3-pyridinylamino)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-(3-pyridinylamino)acryloyl]carbamate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-[2-cyano-3-(3-pyridinylamino)acryloyl]carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.