Methanone, (1,1-dioxido-5-phenyl-1,2-dithiolan-4-yl)phenyl-
TL;DR: Methanone, (1,1-dioxido-5-phenyl-1,2-dithiolan-4-yl)phenyl- (CAS 23877-34-1) is a chemical compound with molecular formula C16H14O3S2 and molecular weight 318.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,1-dioxo-5-phenyldithiolan-4-yl)-phenylmethanone
Also Known As: 2-Bromoisobutyric Acid tert-Butyl Ester, (1,1-dioxo-5-phenyldithiolan-4-yl)-phenylmethanone, Methanone, (1,1-dioxido-5-phenyl-1,2-dithiolan-4-yl)phenyl-, (1,1-dioxo-5-phenyl-dithiolan-4-yl)-phenyl-methanone, 4-Benzoyl-5-phenyl-1,2lambda~6~-dithiolane-1,1-dione
| Molecular Formula | C16H14O3S2 |
|---|---|
| Molecular Weight | 318.04 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 84.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 318.03842 |
| Heavy Atoms | 21 |
| Complexity | 468.0 |
Chemical Identifiers
| CAS Number | 23877-34-1 |
|---|---|
| SMILES | C1C(C(S(=O)(=O)S1)C2=CC=CC=C2)C(=O)C3=CC=CC=C3 |
| InChIKey | NOFMMKQQXVLNNS-UHFFFAOYSA-N |
Product Overview
Methanone, (1,1-dioxido-5-phenyl-1,2-dithiolan-4-yl)phenyl- (CAS 23877-34-1), with molecular formula C16H14O3S2 and molecular weight 318.04 g/mol. IUPAC: (1,1-dioxo-5-phenyldithiolan-4-yl)-phenylmethanone.
Chemical Property Profile of Methanone, (1,1-dioxido-5-phenyl-1,2-dithiolan-4-yl)phenyl-
Property Insights of Methanone, (1,1-dioxido-5-phenyl-1,2-dithiolan-4-yl)phenyl-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methanone, (1,1-dioxido-5-phenyl-1,2-dithiolan-4-yl)phenyl-. The TPSA of 84.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Methanone, (1,1-dioxido-5-phenyl-1,2-dithiolan-4-yl)phenyl-. Following Lipinski's Rule of Five, Methanone, (1,1-dioxido-5-phenyl-1,2-dithiolan-4-yl)phenyl- has 0 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 Methanone, (1,1-dioxido-5-phenyl-1,2-dithiolan-4-yl)phenyl-?
The CAS number of Methanone, (1,1-dioxido-5-phenyl-1,2-dithiolan-4-yl)phenyl- is 23877-34-1.
What is the molecular formula of Methanone, (1,1-dioxido-5-phenyl-1,2-dithiolan-4-yl)phenyl-?
The molecular formula of Methanone, (1,1-dioxido-5-phenyl-1,2-dithiolan-4-yl)phenyl- is C16H14O3S2.
What is the molecular weight of Methanone, (1,1-dioxido-5-phenyl-1,2-dithiolan-4-yl)phenyl-?
The molecular weight of Methanone, (1,1-dioxido-5-phenyl-1,2-dithiolan-4-yl)phenyl- is 318.04 g/mol.
Where can I buy Methanone, (1,1-dioxido-5-phenyl-1,2-dithiolan-4-yl)phenyl-?
You can request a quote for Methanone, (1,1-dioxido-5-phenyl-1,2-dithiolan-4-yl)phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methanone, (1,1-dioxido-5-phenyl-1,2-dithiolan-4-yl)phenyl-?
Yes, KEHONG BIO provides custom synthesis services for Methanone, (1,1-dioxido-5-phenyl-1,2-dithiolan-4-yl)phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.