2,2-Dimethyl-1-phenyl-1-thioxo-phosphinan-4-one
TL;DR: 2,2-Dimethyl-1-phenyl-1-thioxo-phosphinan-4-one (CAS 4972-19-4) is a chemical compound with molecular formula C13H17OPS and molecular weight 252.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-1-phenyl-1-sulfanylidene-1λ5-phosphinan-4-one
Also Known As: BAS 00215941, 2,2-dimethyl-1-phenyl-1-sulfanylidene-1, 2,2-Dimethyl-1-phenyl-1-thioxo-phosphinan-4-one, 2,2-Dimethyl-1-phenyl-4-phosphinanone 1-sulfide #, 2,2-Dimethyl-1-phenyl-1-thioxo-1lambda*5*-phosphinan-4-one
| Molecular Formula | C13H17OPS |
|---|---|
| Molecular Weight | 252.07 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 49.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 252.07378 |
| Heavy Atoms | 16 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 4972-19-4 |
|---|---|
| SMILES | CC1(CC(=O)CCP1(=S)C2=CC=CC=C2)C |
| InChIKey | NJQAUXULXDKFMO-UHFFFAOYSA-N |
Product Overview
2,2-Dimethyl-1-phenyl-1-thioxo-phosphinan-4-one (CAS 4972-19-4), with molecular formula C13H17OPS and molecular weight 252.07 g/mol. IUPAC: 2,2-dimethyl-1-phenyl-1-sulfanylidene-1λ5-phosphinan-4-one.
Chemical Property Profile of 2,2-Dimethyl-1-phenyl-1-thioxo-phosphinan-4-one
Property Insights of 2,2-Dimethyl-1-phenyl-1-thioxo-phosphinan-4-one
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dimethyl-1-phenyl-1-thioxo-phosphinan-4-one. With a topological polar surface area (TPSA) of 49.2 Ų, 2,2-Dimethyl-1-phenyl-1-thioxo-phosphinan-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dimethyl-1-phenyl-1-thioxo-phosphinan-4-one has 0 hydrogen bond donor(s) and 2 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 2,2-Dimethyl-1-phenyl-1-thioxo-phosphinan-4-one?
The CAS number of 2,2-Dimethyl-1-phenyl-1-thioxo-phosphinan-4-one is 4972-19-4.
What is the molecular formula of 2,2-Dimethyl-1-phenyl-1-thioxo-phosphinan-4-one?
The molecular formula of 2,2-Dimethyl-1-phenyl-1-thioxo-phosphinan-4-one is C13H17OPS.
What is the molecular weight of 2,2-Dimethyl-1-phenyl-1-thioxo-phosphinan-4-one?
The molecular weight of 2,2-Dimethyl-1-phenyl-1-thioxo-phosphinan-4-one is 252.07 g/mol.
Where can I buy 2,2-Dimethyl-1-phenyl-1-thioxo-phosphinan-4-one?
You can request a quote for 2,2-Dimethyl-1-phenyl-1-thioxo-phosphinan-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dimethyl-1-phenyl-1-thioxo-phosphinan-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethyl-1-phenyl-1-thioxo-phosphinan-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.