3-Aminocyclobut-3-ene-1,2-dione
TL;DR: 3-Aminocyclobut-3-ene-1,2-dione (CAS 65842-67-3) is a chemical compound with molecular formula C4H3NO2 and molecular weight 97.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-aminocyclobut-3-ene-1,2-dione
Also Known As: Semiquadratsaeureamid, 3-aminocyclobut-3-ene-1,2-dione, aminocyclobutene-dione, 3-Cyclobutene-1,2-dione, 3-amino-, 3-Amino-3-cyclobutene-1,2-dione
| Molecular Formula | C4H3NO2 |
|---|---|
| Molecular Weight | 97.02 g/mol |
| LogP | -1.1352 |
| Topological Polar Surface Area | 60.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 97.01638 |
| Heavy Atoms | 7 |
| Complexity | 243.44507 |
Chemical Identifiers
| CAS Number | 65842-67-3 |
|---|---|
| SMILES | C1=C(C(=O)C1=O)N |
Product Overview
3-Aminocyclobut-3-ene-1,2-dione (CAS 65842-67-3), with molecular formula C4H3NO2 and molecular weight 97.02 g/mol. IUPAC: 3-aminocyclobut-3-ene-1,2-dione.
Chemical Property Profile of 3-Aminocyclobut-3-ene-1,2-dione
Property Insights of 3-Aminocyclobut-3-ene-1,2-dione
The XLogP value of -1.1352 indicates that 3-Aminocyclobut-3-ene-1,2-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 60.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Aminocyclobut-3-ene-1,2-dione. Following Lipinski's Rule of Five, 3-Aminocyclobut-3-ene-1,2-dione has 1 hydrogen bond donor(s) and 3 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 3-Aminocyclobut-3-ene-1,2-dione?
The CAS number of 3-Aminocyclobut-3-ene-1,2-dione is 65842-67-3.
What is the molecular formula of 3-Aminocyclobut-3-ene-1,2-dione?
The molecular formula of 3-Aminocyclobut-3-ene-1,2-dione is C4H3NO2.
What is the molecular weight of 3-Aminocyclobut-3-ene-1,2-dione?
The molecular weight of 3-Aminocyclobut-3-ene-1,2-dione is 97.02 g/mol.
Where can I buy 3-Aminocyclobut-3-ene-1,2-dione?
You can request a quote for 3-Aminocyclobut-3-ene-1,2-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Aminocyclobut-3-ene-1,2-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-Aminocyclobut-3-ene-1,2-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.