3,4-Bis(benzylamino)cyclobut-3-ene-1,2-dione
TL;DR: 3,4-Bis(benzylamino)cyclobut-3-ene-1,2-dione (CAS 175204-25-8) is a chemical compound with molecular formula C18H16N2O2 and molecular weight 292.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-bis(benzylamino)cyclobut-3-ene-1,2-dione
Also Known As: 3,4-bis(benzylamino)cyclobut-3-ene-1,2-dione, 3,4-di(benzylamino)cyclobut-3-ene-1,2-dione, Cyclobutene-1,2-diol, 3,4-bis(benzylimino)-, 3,4-Bis(benzylamino)-3-cyclobutene-1,2-dione, BIS(BENZYLAMINO)CYCLOBUT-3-ENE-1,2-DIONE
| Molecular Formula | C18H16N2O2 |
|---|---|
| Molecular Weight | 292.12 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 292.1212 |
| Heavy Atoms | 22 |
| Complexity | 416.0 |
Chemical Identifiers
| CAS Number | 175204-25-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC2=C(C(=O)C2=O)NCC3=CC=CC=C3 |
| InChIKey | CDQDQDSGKAKONQ-UHFFFAOYSA-N |
Product Overview
3,4-Bis(benzylamino)cyclobut-3-ene-1,2-dione (CAS 175204-25-8), with molecular formula C18H16N2O2 and molecular weight 292.12 g/mol. IUPAC: 3,4-bis(benzylamino)cyclobut-3-ene-1,2-dione.
Chemical Property Profile of 3,4-Bis(benzylamino)cyclobut-3-ene-1,2-dione
Property Insights of 3,4-Bis(benzylamino)cyclobut-3-ene-1,2-dione
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Bis(benzylamino)cyclobut-3-ene-1,2-dione. With a topological polar surface area (TPSA) of 58.2 Ų, 3,4-Bis(benzylamino)cyclobut-3-ene-1,2-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Bis(benzylamino)cyclobut-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-Bis(benzylamino)cyclobut-3-ene-1,2-dione?
The CAS number of 3,4-Bis(benzylamino)cyclobut-3-ene-1,2-dione is 175204-25-8.
What is the molecular formula of 3,4-Bis(benzylamino)cyclobut-3-ene-1,2-dione?
The molecular formula of 3,4-Bis(benzylamino)cyclobut-3-ene-1,2-dione is C18H16N2O2.
What is the molecular weight of 3,4-Bis(benzylamino)cyclobut-3-ene-1,2-dione?
The molecular weight of 3,4-Bis(benzylamino)cyclobut-3-ene-1,2-dione is 292.12 g/mol.
Where can I buy 3,4-Bis(benzylamino)cyclobut-3-ene-1,2-dione?
You can request a quote for 3,4-Bis(benzylamino)cyclobut-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-Bis(benzylamino)cyclobut-3-ene-1,2-dione?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Bis(benzylamino)cyclobut-3-ene-1,2-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.