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叔丁基雙環[2.2.2]硫代磷酸酯
TL;DR: 叔丁基雙環[2.2.2]硫代磷酸酯 (CAS 70636-86-1) is a chemical compound with molecular formula C8H15O3PS and molecular weight 222.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
叔丁基雙環[2.2.2]硫代磷酸酯
4-tert-butyl-1-sulfanylidene-2,6,7-trioxa-1λ5-phosphabicyclo[2.2.2]octane
Also Known As: TBPS, tert-Butylbicyclophosphorothionate, tert-BBCP, t-butylbicyclophosphorothionate, tert-Butyl bicyclo[2.2.2]phosphorothionate
| Molecular Formula | C8H15O3PS |
|---|---|
| Molecular Weight | 222.05 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 59.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 222.04796 |
| Heavy Atoms | 13 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 70636-86-1 |
|---|---|
| SMILES | CC(C)(C)C12COP(=S)(OC1)OC2 |
| InChIKey | VTBHBNXGFPTBJL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
叔丁基雙環[2.2.2]硫代磷酸酯 (CAS 70636-86-1), with molecular formula C8H15O3PS and molecular weight 222.05 g/mol. IUPAC: 4-tert-butyl-1-sulfanylidene-2,6,7-trioxa-1λ5-phosphabicyclo[2.2.2]octane.
Chemical Property Profile of 叔丁基雙環[2.2.2]硫代磷酸酯
Property Insights of 叔丁基雙環[2.2.2]硫代磷酸酯
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 叔丁基雙環[2.2.2]硫代磷酸酯. With a topological polar surface area (TPSA) of 59.8 Ų, 叔丁基雙環[2.2.2]硫代磷酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 叔丁基雙環[2.2.2]硫代磷酸酯 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 叔丁基雙環[2.2.2]硫代磷酸酯?
The CAS number of 叔丁基雙環[2.2.2]硫代磷酸酯 is 70636-86-1.
What is the molecular formula of 叔丁基雙環[2.2.2]硫代磷酸酯?
The molecular formula of 叔丁基雙環[2.2.2]硫代磷酸酯 is C8H15O3PS.
What is the molecular weight of 叔丁基雙環[2.2.2]硫代磷酸酯?
The molecular weight of 叔丁基雙環[2.2.2]硫代磷酸酯 is 222.05 g/mol.
Where can I buy 叔丁基雙環[2.2.2]硫代磷酸酯?
You can request a quote for 叔丁基雙環[2.2.2]硫代磷酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 叔丁基雙環[2.2.2]硫代磷酸酯?
Yes, KEHONG BIO provides custom synthesis services for 叔丁基雙環[2.2.2]硫代磷酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.