3,4-Dianilinocyclobut-3-ene-1,2-dione
TL;DR: 3,4-Dianilinocyclobut-3-ene-1,2-dione (CAS 33512-89-9) is a chemical compound with molecular formula C16H12N2O2 and molecular weight 264.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dianilinocyclobut-3-ene-1,2-dione
Also Known As: 3,4-dianilinocyclobut-3-ene-1,2-dione, 3,4-bis(phenylamino)cyclobut-3-ene-1,2-dione, bis(phenylamino)cyclobut-3-ene-1,2-dione, 3,4-Dianilino-3-cyclobutene-1,2-dione, 1,3,5-Tri-O-benzoyl-2-O-methyl-D-ribose
| Molecular Formula | C16H12N2O2 |
|---|---|
| Molecular Weight | 264.09 g/mol |
| LogP | 2.7698 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 264.08987 |
| Heavy Atoms | 20 |
| Complexity | 719.122 |
Chemical Identifiers
| CAS Number | 33512-89-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=C(C(=O)C2=O)NC3=CC=CC=C3 |
Product Overview
3,4-Dianilinocyclobut-3-ene-1,2-dione (CAS 33512-89-9), with molecular formula C16H12N2O2 and molecular weight 264.09 g/mol. IUPAC: 3,4-dianilinocyclobut-3-ene-1,2-dione.
Chemical Property Profile of 3,4-Dianilinocyclobut-3-ene-1,2-dione
Property Insights of 3,4-Dianilinocyclobut-3-ene-1,2-dione
The XLogP value of 2.7698 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dianilinocyclobut-3-ene-1,2-dione. With a topological polar surface area (TPSA) of 58.2 Ų, 3,4-Dianilinocyclobut-3-ene-1,2-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dianilinocyclobut-3-ene-1,2-dione 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 3,4-Dianilinocyclobut-3-ene-1,2-dione?
The CAS number of 3,4-Dianilinocyclobut-3-ene-1,2-dione is 33512-89-9.
What is the molecular formula of 3,4-Dianilinocyclobut-3-ene-1,2-dione?
The molecular formula of 3,4-Dianilinocyclobut-3-ene-1,2-dione is C16H12N2O2.
What is the molecular weight of 3,4-Dianilinocyclobut-3-ene-1,2-dione?
The molecular weight of 3,4-Dianilinocyclobut-3-ene-1,2-dione is 264.09 g/mol.
Where can I buy 3,4-Dianilinocyclobut-3-ene-1,2-dione?
You can request a quote for 3,4-Dianilinocyclobut-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 3,4-Dianilinocyclobut-3-ene-1,2-dione?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dianilinocyclobut-3-ene-1,2-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.