pinacolyl S-(2-trimethylaminoethyl)methylphosphonothioate
TL;DR: pinacolyl S-(2-trimethylaminoethyl)methylphosphonothioate (CAS 5007-32-9) is a chemical compound with molecular formula C12H29NO2PS+ and molecular weight 282.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3,3-dimethylbutan-2-yloxy(methyl)phosphoryl]sulfanylethyl-trimethylazanium
Also Known As: Pinacolyl-bos, pinacolylS- methylphosphonothioate, Pinacolyl S-(2-trimethylaminoethyl)methylphosphonothioate, Ethanaminium, N,N,N-trimethyl-2-((methyl(1,2,2-trimethylpropoxy)phosphinyl)thio)-, 2-(3,3-dimethylbutan-2-yloxy-methylphosphoryl)sulfanylethyl-trimethylazanium
| Molecular Formula | C12H29NO2PS+ |
|---|---|
| Molecular Weight | 282.17 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 282.16565 |
| Heavy Atoms | 17 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 5007-32-9 |
|---|---|
| SMILES | CC(C(C)(C)C)OP(=O)(C)SCC[N+](C)(C)C |
| InChIKey | OKYKDPYOFDFXJC-UHFFFAOYSA-N |
Product Overview
pinacolyl S-(2-trimethylaminoethyl)methylphosphonothioate (CAS 5007-32-9), with molecular formula C12H29NO2PS+ and molecular weight 282.17 g/mol. IUPAC: 2-[3,3-dimethylbutan-2-yloxy(methyl)phosphoryl]sulfanylethyl-trimethylazanium.
Chemical Property Profile of pinacolyl S-(2-trimethylaminoethyl)methylphosphonothioate
Property Insights of pinacolyl S-(2-trimethylaminoethyl)methylphosphonothioate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for pinacolyl S-(2-trimethylaminoethyl)methylphosphonothioate. With a topological polar surface area (TPSA) of 51.6 Ų, pinacolyl S-(2-trimethylaminoethyl)methylphosphonothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, pinacolyl S-(2-trimethylaminoethyl)methylphosphonothioate 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 pinacolyl S-(2-trimethylaminoethyl)methylphosphonothioate?
The CAS number of pinacolyl S-(2-trimethylaminoethyl)methylphosphonothioate is 5007-32-9.
What is the molecular formula of pinacolyl S-(2-trimethylaminoethyl)methylphosphonothioate?
The molecular formula of pinacolyl S-(2-trimethylaminoethyl)methylphosphonothioate is C12H29NO2PS+.
What is the molecular weight of pinacolyl S-(2-trimethylaminoethyl)methylphosphonothioate?
The molecular weight of pinacolyl S-(2-trimethylaminoethyl)methylphosphonothioate is 282.17 g/mol.
Where can I buy pinacolyl S-(2-trimethylaminoethyl)methylphosphonothioate?
You can request a quote for pinacolyl S-(2-trimethylaminoethyl)methylphosphonothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for pinacolyl S-(2-trimethylaminoethyl)methylphosphonothioate?
Yes, KEHONG BIO provides custom synthesis services for pinacolyl S-(2-trimethylaminoethyl)methylphosphonothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.