1,3,2-Dioxaphosphorinane, 2-mercapto-5,5-dimethyl-, 2-oxide
TL;DR: 1,3,2-Dioxaphosphorinane, 2-mercapto-5,5-dimethyl-, 2-oxide (CAS 45734-11-0) is a chemical compound with molecular formula C5H11O3PS and molecular weight 182.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane
Also Known As: Neopentylmonothiophosphorsaeure, 1,3,2-Dioxaphosphorinane, 2-mercapto-5,5-dimethyl-, 2-oxide, 5,5-Dimethyl-2-hydroxy-1,3,2-dioxaphosphorinane-2-thione, 2-hydroxy-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane-2-thione, 2-Hydroxy-5,5-dimethyl-1,3,2lambda~5~-dioxaphosphinane-2-thione
| Molecular Formula | C5H11O3PS |
|---|---|
| Molecular Weight | 182.02 g/mol |
| LogP | 1.2762 |
| Topological Polar Surface Area | 38.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 182.01665 |
| Heavy Atoms | 10 |
| Complexity | 165.73187 |
Chemical Identifiers
| CAS Number | 45734-11-0 |
|---|---|
| SMILES | CC1(COP(=S)(OC1)O)C |
Product Overview
1,3,2-Dioxaphosphorinane, 2-mercapto-5,5-dimethyl-, 2-oxide (CAS 45734-11-0), with molecular formula C5H11O3PS and molecular weight 182.02 g/mol. IUPAC: 2-hydroxy-5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane.
Chemical Property Profile of 1,3,2-Dioxaphosphorinane, 2-mercapto-5,5-dimethyl-, 2-oxide
Property Insights of 1,3,2-Dioxaphosphorinane, 2-mercapto-5,5-dimethyl-, 2-oxide
The XLogP value of 1.2762 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,2-Dioxaphosphorinane, 2-mercapto-5,5-dimethyl-, 2-oxide. With a topological polar surface area (TPSA) of 38.69 Ų, 1,3,2-Dioxaphosphorinane, 2-mercapto-5,5-dimethyl-, 2-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,2-Dioxaphosphorinane, 2-mercapto-5,5-dimethyl-, 2-oxide has 1 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 1,3,2-Dioxaphosphorinane, 2-mercapto-5,5-dimethyl-, 2-oxide?
The CAS number of 1,3,2-Dioxaphosphorinane, 2-mercapto-5,5-dimethyl-, 2-oxide is 45734-11-0.
What is the molecular formula of 1,3,2-Dioxaphosphorinane, 2-mercapto-5,5-dimethyl-, 2-oxide?
The molecular formula of 1,3,2-Dioxaphosphorinane, 2-mercapto-5,5-dimethyl-, 2-oxide is C5H11O3PS.
What is the molecular weight of 1,3,2-Dioxaphosphorinane, 2-mercapto-5,5-dimethyl-, 2-oxide?
The molecular weight of 1,3,2-Dioxaphosphorinane, 2-mercapto-5,5-dimethyl-, 2-oxide is 182.02 g/mol.
Where can I buy 1,3,2-Dioxaphosphorinane, 2-mercapto-5,5-dimethyl-, 2-oxide?
You can request a quote for 1,3,2-Dioxaphosphorinane, 2-mercapto-5,5-dimethyl-, 2-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,2-Dioxaphosphorinane, 2-mercapto-5,5-dimethyl-, 2-oxide?
Yes, KEHONG BIO provides custom synthesis services for 1,3,2-Dioxaphosphorinane, 2-mercapto-5,5-dimethyl-, 2-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.