S-(2-(Dimethylamino)ethyl) O-(isobutyl) methylphosphonothioate
TL;DR: S-(2-(Dimethylamino)ethyl) O-(isobutyl) methylphosphonothioate (CAS 56217-65-3) is a chemical compound with molecular formula C9H22NO2PS and molecular weight 239.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-2-[methyl(2-methylpropoxy)phosphoryl]sulfanylethanamine
Also Known As: S-(2-(Dimethylamino)ethyl) O-(isobutyl) methylphosphonothioate, O-i-Butyl-S-(2-dimethylaminoetyl)-metylfosfonothioatu, J2.805.013E, O-i-Butyl-S-(2-dimethylaminoetyl)-metylfosfonothioatu [Czech], 2-(2-(Dimethylamino)ethyl) O-(2-methylpropyl) methylphosphonothioate
| Molecular Formula | C9H22NO2PS |
|---|---|
| Molecular Weight | 239.11 g/mol |
| LogP | 2.7767 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 239.11089 |
| Heavy Atoms | 14 |
| Complexity | 197.25098 |
Chemical Identifiers
| CAS Number | 56217-65-3 |
|---|---|
| SMILES | CC(C)COP(=O)(C)SCCN(C)C |
Product Overview
S-(2-(Dimethylamino)ethyl) O-(isobutyl) methylphosphonothioate (CAS 56217-65-3), with molecular formula C9H22NO2PS and molecular weight 239.11 g/mol. IUPAC: N,N-dimethyl-2-[methyl(2-methylpropoxy)phosphoryl]sulfanylethanamine.
Chemical Property Profile of S-(2-(Dimethylamino)ethyl) O-(isobutyl) methylphosphonothioate
Property Insights of S-(2-(Dimethylamino)ethyl) O-(isobutyl) methylphosphonothioate
The XLogP value of 2.7767 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-(2-(Dimethylamino)ethyl) O-(isobutyl) methylphosphonothioate. With a topological polar surface area (TPSA) of 29.54 Ų, S-(2-(Dimethylamino)ethyl) O-(isobutyl) methylphosphonothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-(2-(Dimethylamino)ethyl) O-(isobutyl) methylphosphonothioate 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 S-(2-(Dimethylamino)ethyl) O-(isobutyl) methylphosphonothioate?
The CAS number of S-(2-(Dimethylamino)ethyl) O-(isobutyl) methylphosphonothioate is 56217-65-3.
What is the molecular formula of S-(2-(Dimethylamino)ethyl) O-(isobutyl) methylphosphonothioate?
The molecular formula of S-(2-(Dimethylamino)ethyl) O-(isobutyl) methylphosphonothioate is C9H22NO2PS.
What is the molecular weight of S-(2-(Dimethylamino)ethyl) O-(isobutyl) methylphosphonothioate?
The molecular weight of S-(2-(Dimethylamino)ethyl) O-(isobutyl) methylphosphonothioate is 239.11 g/mol.
Where can I buy S-(2-(Dimethylamino)ethyl) O-(isobutyl) methylphosphonothioate?
You can request a quote for S-(2-(Dimethylamino)ethyl) O-(isobutyl) methylphosphonothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(2-(Dimethylamino)ethyl) O-(isobutyl) methylphosphonothioate?
Yes, KEHONG BIO provides custom synthesis services for S-(2-(Dimethylamino)ethyl) O-(isobutyl) methylphosphonothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.