1,3-Oxathiolan-5-one, 2,2-dimethyl-4,4-diphenyl-
TL;DR: 1,3-Oxathiolan-5-one, 2,2-dimethyl-4,4-diphenyl- (CAS 31061-71-9) is a chemical compound with molecular formula C17H16O2S and molecular weight 284.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-4,4-diphenyl-1,3-oxathiolan-5-one
Also Known As: 2,2-Dimethyl-4,4-diphenyl-1,3-oxathiolan-5-one, 1,3-Oxathiolan-5-one, 2,2-dimethyl-4,4-diphenyl-, 2,2-Dimethyl-4,4-diphenyl-1,3-oxathiolan-5-one #
| Molecular Formula | C17H16O2S |
|---|---|
| Molecular Weight | 284.09 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 284.0871 |
| Heavy Atoms | 20 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 31061-71-9 |
|---|---|
| SMILES | CC1(OC(=O)C(S1)(C2=CC=CC=C2)C3=CC=CC=C3)C |
| InChIKey | YBFBCFZEGLNYRY-UHFFFAOYSA-N |
Product Overview
1,3-Oxathiolan-5-one, 2,2-dimethyl-4,4-diphenyl- (CAS 31061-71-9), with molecular formula C17H16O2S and molecular weight 284.09 g/mol. IUPAC: 2,2-dimethyl-4,4-diphenyl-1,3-oxathiolan-5-one.
Chemical Property Profile of 1,3-Oxathiolan-5-one, 2,2-dimethyl-4,4-diphenyl-
Property Insights of 1,3-Oxathiolan-5-one, 2,2-dimethyl-4,4-diphenyl-
The XLogP value of 4.5 indicates that 1,3-Oxathiolan-5-one, 2,2-dimethyl-4,4-diphenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.6 Ų, 1,3-Oxathiolan-5-one, 2,2-dimethyl-4,4-diphenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Oxathiolan-5-one, 2,2-dimethyl-4,4-diphenyl- has 0 hydrogen bond donor(s) and 3 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 1,3-Oxathiolan-5-one, 2,2-dimethyl-4,4-diphenyl-?
The CAS number of 1,3-Oxathiolan-5-one, 2,2-dimethyl-4,4-diphenyl- is 31061-71-9.
What is the molecular formula of 1,3-Oxathiolan-5-one, 2,2-dimethyl-4,4-diphenyl-?
The molecular formula of 1,3-Oxathiolan-5-one, 2,2-dimethyl-4,4-diphenyl- is C17H16O2S.
What is the molecular weight of 1,3-Oxathiolan-5-one, 2,2-dimethyl-4,4-diphenyl-?
The molecular weight of 1,3-Oxathiolan-5-one, 2,2-dimethyl-4,4-diphenyl- is 284.09 g/mol.
Where can I buy 1,3-Oxathiolan-5-one, 2,2-dimethyl-4,4-diphenyl-?
You can request a quote for 1,3-Oxathiolan-5-one, 2,2-dimethyl-4,4-diphenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Oxathiolan-5-one, 2,2-dimethyl-4,4-diphenyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Oxathiolan-5-one, 2,2-dimethyl-4,4-diphenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.