1-(2-Propenylamino)-2-ethoxy-3,4-dioxo-1-cyclobutene
TL;DR: 1-(2-Propenylamino)-2-ethoxy-3,4-dioxo-1-cyclobutene (CAS 144912-96-9) is a chemical compound with molecular formula C9H11NO3 and molecular weight 181.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethoxy-4-(prop-2-enylamino)cyclobut-3-ene-1,2-dione
Also Known As: 1-(2-propenylamino)-2-ethoxy-3,4-dioxo-1-cyclobutene, J2.529.672I, 3-(Allylamino)-4-ethoxy-3-cyclobutene-1,2-dione, 2-ethoxy-3-(prop-2-enylamino)cyclobut-2-ene-1,4-dione, 3-ethoxy-4-[(prop-2-en-1-yl)amino]cyclobut-3-ene-1,2-dione
| Molecular Formula | C9H11NO3 |
|---|---|
| Molecular Weight | 181.07 g/mol |
| LogP | 0.2792 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 181.0739 |
| Heavy Atoms | 13 |
| Complexity | 374.0468 |
Chemical Identifiers
| CAS Number | 144912-96-9 |
|---|---|
| SMILES | CCOC1=C(C(=O)C1=O)NCC=C |
Product Overview
1-(2-Propenylamino)-2-ethoxy-3,4-dioxo-1-cyclobutene (CAS 144912-96-9), with molecular formula C9H11NO3 and molecular weight 181.07 g/mol. IUPAC: 3-ethoxy-4-(prop-2-enylamino)cyclobut-3-ene-1,2-dione.
Chemical Property Profile of 1-(2-Propenylamino)-2-ethoxy-3,4-dioxo-1-cyclobutene
Property Insights of 1-(2-Propenylamino)-2-ethoxy-3,4-dioxo-1-cyclobutene
The XLogP value of 0.2792 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Propenylamino)-2-ethoxy-3,4-dioxo-1-cyclobutene. With a topological polar surface area (TPSA) of 55.4 Ų, 1-(2-Propenylamino)-2-ethoxy-3,4-dioxo-1-cyclobutene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Propenylamino)-2-ethoxy-3,4-dioxo-1-cyclobutene has 1 hydrogen bond donor(s) and 4 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 1-(2-Propenylamino)-2-ethoxy-3,4-dioxo-1-cyclobutene?
The CAS number of 1-(2-Propenylamino)-2-ethoxy-3,4-dioxo-1-cyclobutene is 144912-96-9.
What is the molecular formula of 1-(2-Propenylamino)-2-ethoxy-3,4-dioxo-1-cyclobutene?
The molecular formula of 1-(2-Propenylamino)-2-ethoxy-3,4-dioxo-1-cyclobutene is C9H11NO3.
What is the molecular weight of 1-(2-Propenylamino)-2-ethoxy-3,4-dioxo-1-cyclobutene?
The molecular weight of 1-(2-Propenylamino)-2-ethoxy-3,4-dioxo-1-cyclobutene is 181.07 g/mol.
Where can I buy 1-(2-Propenylamino)-2-ethoxy-3,4-dioxo-1-cyclobutene?
You can request a quote for 1-(2-Propenylamino)-2-ethoxy-3,4-dioxo-1-cyclobutene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Propenylamino)-2-ethoxy-3,4-dioxo-1-cyclobutene?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Propenylamino)-2-ethoxy-3,4-dioxo-1-cyclobutene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.