方酰胺
TL;DR: 方酰胺 (CAS 5231-89-0) is a chemical compound with molecular formula C4H4N2O2 and molecular weight 112.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
方酰胺
3,4-diaminocyclobut-3-ene-1,2-dione
Also Known As: 3,4-diaminocyclobut-3-ene-1,2-dione, Squaramide, diaminocyclobut-3-ene-1,2-dione, di-aminocyclobutenedione, 3,4-diamino-3-cyclobutene-1,2-dione
| Molecular Formula | C4H4N2O2 |
|---|---|
| Molecular Weight | 112.03 g/mol |
| LogP | -1.553 |
| Topological Polar Surface Area | 86.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 112.027275 |
| Heavy Atoms | 8 |
| Complexity | 252.08888 |
Chemical Identifiers
| CAS Number | 5231-89-0 |
|---|---|
| SMILES | C1(=C(C(=O)C1=O)N)N |
Product Overview
方酰胺 (CAS 5231-89-0), with molecular formula C4H4N2O2 and molecular weight 112.03 g/mol. IUPAC: 3,4-diaminocyclobut-3-ene-1,2-dione.
Chemical Property Profile of 方酰胺
Property Insights of 方酰胺
The XLogP value of -1.553 indicates that 方酰胺 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 86.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 方酰胺. Following Lipinski's Rule of Five, 方酰胺 has 2 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 方酰胺?
The CAS number of 方酰胺 is 5231-89-0.
What is the molecular formula of 方酰胺?
The molecular formula of 方酰胺 is C4H4N2O2.
What is the molecular weight of 方酰胺?
The molecular weight of 方酰胺 is 112.03 g/mol.
Where can I buy 方酰胺?
You can request a quote for 方酰胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 方酰胺?
Yes, KEHONG BIO provides custom synthesis services for 方酰胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.