S-Methyl N,N-dimethyl-P-pentanoylphosphonamidothioate
TL;DR: S-Methyl N,N-dimethyl-P-pentanoylphosphonamidothioate (CAS 67242-45-9) is a chemical compound with molecular formula C8H18NO2PS and molecular weight 223.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[dimethylamino(methylsulfanyl)phosphoryl]pentan-1-one
Also Known As: S-Methyl N,N-dimethyl-P-pentanoylphosphonamidothioate, P-Ethyl-N-(1-oxopentyl)phosphonamidothioic acid S-methyl ester, 1-[dimethylamino(methylsulfanyl)phosphoryl]pentan-1-one, Phosphonamidothioic acid, P-ethyl-N-(1-oxopentyl)-, S-methyl ester, RefChem:1098262
| Molecular Formula | C8H18NO2PS |
|---|---|
| Molecular Weight | 223.08 g/mol |
| LogP | 2.8209 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 223.07959 |
| Heavy Atoms | 13 |
| Complexity | 218.18956 |
Chemical Identifiers
| CAS Number | 67242-45-9 |
|---|---|
| SMILES | CCCCC(=O)P(=O)(N(C)C)SC |
Product Overview
S-Methyl N,N-dimethyl-P-pentanoylphosphonamidothioate (CAS 67242-45-9), with molecular formula C8H18NO2PS and molecular weight 223.08 g/mol. IUPAC: 1-[dimethylamino(methylsulfanyl)phosphoryl]pentan-1-one.
Chemical Property Profile of S-Methyl N,N-dimethyl-P-pentanoylphosphonamidothioate
Property Insights of S-Methyl N,N-dimethyl-P-pentanoylphosphonamidothioate
The XLogP value of 2.8209 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-Methyl N,N-dimethyl-P-pentanoylphosphonamidothioate. With a topological polar surface area (TPSA) of 37.38 Ų, S-Methyl N,N-dimethyl-P-pentanoylphosphonamidothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-Methyl N,N-dimethyl-P-pentanoylphosphonamidothioate 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 S-Methyl N,N-dimethyl-P-pentanoylphosphonamidothioate?
The CAS number of S-Methyl N,N-dimethyl-P-pentanoylphosphonamidothioate is 67242-45-9.
What is the molecular formula of S-Methyl N,N-dimethyl-P-pentanoylphosphonamidothioate?
The molecular formula of S-Methyl N,N-dimethyl-P-pentanoylphosphonamidothioate is C8H18NO2PS.
What is the molecular weight of S-Methyl N,N-dimethyl-P-pentanoylphosphonamidothioate?
The molecular weight of S-Methyl N,N-dimethyl-P-pentanoylphosphonamidothioate is 223.08 g/mol.
Where can I buy S-Methyl N,N-dimethyl-P-pentanoylphosphonamidothioate?
You can request a quote for S-Methyl N,N-dimethyl-P-pentanoylphosphonamidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Methyl N,N-dimethyl-P-pentanoylphosphonamidothioate?
Yes, KEHONG BIO provides custom synthesis services for S-Methyl N,N-dimethyl-P-pentanoylphosphonamidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.