isopropyl S-2-trimethylammoniumethylmethylphosphonothioate
TL;DR: isopropyl S-2-trimethylammoniumethylmethylphosphonothioate (CAS 56217-69-7) is a chemical compound with molecular formula C9H23NO2PS+ and molecular weight 240.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl-[2-[methyl(propan-2-yloxy)phosphoryl]sulfanylethyl]azanium
Also Known As: Cid 15840, S-(Methylisopropoxyphosphinyl)thiocholine, S-[Isopropyloxy(methyl)phosphinyl]thiocholine, Isopropyl S-2-trimethylammoniumethylmethylphosphonothioate, Ethanaminium, N,N,N-trimethyl-2-((methyl(1-methylethoxy)phosphinyl)thio)-
| Molecular Formula | C9H23NO2PS+ |
|---|---|
| Molecular Weight | 240.12 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 240.11871 |
| Heavy Atoms | 14 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 56217-69-7 |
|---|---|
| SMILES | CC(C)OP(=O)(C)SCC[N+](C)(C)C |
| InChIKey | ICVORHBSXMYVGD-UHFFFAOYSA-N |
Product Overview
isopropyl S-2-trimethylammoniumethylmethylphosphonothioate (CAS 56217-69-7), with molecular formula C9H23NO2PS+ and molecular weight 240.12 g/mol. IUPAC: trimethyl-[2-[methyl(propan-2-yloxy)phosphoryl]sulfanylethyl]azanium.
Chemical Property Profile of isopropyl S-2-trimethylammoniumethylmethylphosphonothioate
Property Insights of isopropyl S-2-trimethylammoniumethylmethylphosphonothioate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for isopropyl S-2-trimethylammoniumethylmethylphosphonothioate. With a topological polar surface area (TPSA) of 51.6 Ų, isopropyl S-2-trimethylammoniumethylmethylphosphonothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, isopropyl S-2-trimethylammoniumethylmethylphosphonothioate 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 isopropyl S-2-trimethylammoniumethylmethylphosphonothioate?
The CAS number of isopropyl S-2-trimethylammoniumethylmethylphosphonothioate is 56217-69-7.
What is the molecular formula of isopropyl S-2-trimethylammoniumethylmethylphosphonothioate?
The molecular formula of isopropyl S-2-trimethylammoniumethylmethylphosphonothioate is C9H23NO2PS+.
What is the molecular weight of isopropyl S-2-trimethylammoniumethylmethylphosphonothioate?
The molecular weight of isopropyl S-2-trimethylammoniumethylmethylphosphonothioate is 240.12 g/mol.
Where can I buy isopropyl S-2-trimethylammoniumethylmethylphosphonothioate?
You can request a quote for isopropyl S-2-trimethylammoniumethylmethylphosphonothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for isopropyl S-2-trimethylammoniumethylmethylphosphonothioate?
Yes, KEHONG BIO provides custom synthesis services for isopropyl S-2-trimethylammoniumethylmethylphosphonothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.