![3-[(3,4-dioxo-2-phenylcyclobuten-1-yl)sulfanylmethyl]-4-phen structure](/static/products/817/81758-67-0.png)
3-[(3,4-dioxo-2-phenylcyclobuten-1-yl)sulfanylmethyl]-4-phen
TL;DR: 3-[(3,4-dioxo-2-phenylcyclobuten-1-yl)sulfanylmethyl]-4-phen (CAS 81758-67-0) is a chemical compound with molecular formula C21H12O4S and molecular weight 360.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3,4-dioxo-2-phenylcyclobuten-1-yl)sulfanylmethyl]-4-phenylcyclobut-3-ene-1,2-dione
Also Known As: 3-[(3,4-dioxo-2-phenylcyclobuten-1-yl)sulfanylmethyl]-4-phen, 3-[(3,4-dioxo-2-phenylcyclobuten-1-yl)sulfanylmethyl]-4-phenylcyclobut-3-ene-1,2-dione, 2-[(3,4-dioxo-2-phenyl-1-cyclobutenyl)methylsulfanyl]-3-phenyl-cyclobut-2-ene-1,4-dione, 3-{[(3,4-Dioxo-2-phenylcyclobut-1-en-1-yl)methyl]sulfanyl}-4-phenylcyclobut-3-ene-1,2-dione
| Molecular Formula | C21H12O4S |
|---|---|
| Molecular Weight | 360.05 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 93.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 360.04562 |
| Heavy Atoms | 26 |
| Complexity | 746.0 |
Chemical Identifiers
| CAS Number | 81758-67-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(C(=O)C2=O)CSC3=C(C(=O)C3=O)C4=CC=CC=C4 |
| InChIKey | WMUGEHRLDUUPOP-UHFFFAOYSA-N |
Product Overview
3-[(3,4-dioxo-2-phenylcyclobuten-1-yl)sulfanylmethyl]-4-phen (CAS 81758-67-0), with molecular formula C21H12O4S and molecular weight 360.05 g/mol. IUPAC: 3-[(3,4-dioxo-2-phenylcyclobuten-1-yl)sulfanylmethyl]-4-phenylcyclobut-3-ene-1,2-dione.
Chemical Property Profile of 3-[(3,4-dioxo-2-phenylcyclobuten-1-yl)sulfanylmethyl]-4-phen
Property Insights of 3-[(3,4-dioxo-2-phenylcyclobuten-1-yl)sulfanylmethyl]-4-phen
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(3,4-dioxo-2-phenylcyclobuten-1-yl)sulfanylmethyl]-4-phen. The TPSA of 93.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(3,4-dioxo-2-phenylcyclobuten-1-yl)sulfanylmethyl]-4-phen. Following Lipinski's Rule of Five, 3-[(3,4-dioxo-2-phenylcyclobuten-1-yl)sulfanylmethyl]-4-phen has 0 hydrogen bond donor(s) and 5 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-[(3,4-dioxo-2-phenylcyclobuten-1-yl)sulfanylmethyl]-4-phen?
The CAS number of 3-[(3,4-dioxo-2-phenylcyclobuten-1-yl)sulfanylmethyl]-4-phen is 81758-67-0.
What is the molecular formula of 3-[(3,4-dioxo-2-phenylcyclobuten-1-yl)sulfanylmethyl]-4-phen?
The molecular formula of 3-[(3,4-dioxo-2-phenylcyclobuten-1-yl)sulfanylmethyl]-4-phen is C21H12O4S.
What is the molecular weight of 3-[(3,4-dioxo-2-phenylcyclobuten-1-yl)sulfanylmethyl]-4-phen?
The molecular weight of 3-[(3,4-dioxo-2-phenylcyclobuten-1-yl)sulfanylmethyl]-4-phen is 360.05 g/mol.
Where can I buy 3-[(3,4-dioxo-2-phenylcyclobuten-1-yl)sulfanylmethyl]-4-phen?
You can request a quote for 3-[(3,4-dioxo-2-phenylcyclobuten-1-yl)sulfanylmethyl]-4-phen directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(3,4-dioxo-2-phenylcyclobuten-1-yl)sulfanylmethyl]-4-phen?
Yes, KEHONG BIO provides custom synthesis services for 3-[(3,4-dioxo-2-phenylcyclobuten-1-yl)sulfanylmethyl]-4-phen and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.