Phosphonothioic acid, methyl-, O-cyclohexyl S-(2-(diethylamino)ethyl ester
TL;DR: Phosphonothioic acid, methyl-, O-cyclohexyl S-(2-(diethylamino)ethyl ester (CAS 67894-04-6) is a chemical compound with molecular formula C13H28NO2PS and molecular weight 293.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[cyclohexyloxy(methyl)phosphoryl]sulfanyl-N,N-diethylethanamine
Also Known As: Methylphosphonothioic acid O-cyclohexyl S-(2-(diethylamino)ethyl) este, Phosphonothioic acid, methyl-, O-cyclohexyl S-(2-(diethylamino)ethyl ester, o-Cyclohexyl S-[2-(diethylamino)ethyl] methylphosphonothioate, Methylthiophosphonic acid, o-cyclohexyl S-(2-diethylaminoethyl) ester, cyclohexyl {[2-(diethylamino)ethyl]sulfanyl}(methyl)phosphinate
| Molecular Formula | C13H28NO2PS |
|---|---|
| Molecular Weight | 293.16 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 54.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 293.15784 |
| Heavy Atoms | 18 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 67894-04-6 |
|---|---|
| SMILES | CCN(CC)CCSP(=O)(C)OC1CCCCC1 |
| InChIKey | QWKIFCRAOFDMSP-UHFFFAOYSA-N |
Product Overview
Phosphonothioic acid, methyl-, O-cyclohexyl S-(2-(diethylamino)ethyl ester (CAS 67894-04-6), with molecular formula C13H28NO2PS and molecular weight 293.16 g/mol. IUPAC: 2-[cyclohexyloxy(methyl)phosphoryl]sulfanyl-N,N-diethylethanamine.
Chemical Property Profile of Phosphonothioic acid, methyl-, O-cyclohexyl S-(2-(diethylamino)ethyl ester
Property Insights of Phosphonothioic acid, methyl-, O-cyclohexyl S-(2-(diethylamino)ethyl ester
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphonothioic acid, methyl-, O-cyclohexyl S-(2-(diethylamino)ethyl ester. With a topological polar surface area (TPSA) of 54.8 Ų, Phosphonothioic acid, methyl-, O-cyclohexyl S-(2-(diethylamino)ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphonothioic acid, methyl-, O-cyclohexyl S-(2-(diethylamino)ethyl ester 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 Phosphonothioic acid, methyl-, O-cyclohexyl S-(2-(diethylamino)ethyl ester?
The CAS number of Phosphonothioic acid, methyl-, O-cyclohexyl S-(2-(diethylamino)ethyl ester is 67894-04-6.
What is the molecular formula of Phosphonothioic acid, methyl-, O-cyclohexyl S-(2-(diethylamino)ethyl ester?
The molecular formula of Phosphonothioic acid, methyl-, O-cyclohexyl S-(2-(diethylamino)ethyl ester is C13H28NO2PS.
What is the molecular weight of Phosphonothioic acid, methyl-, O-cyclohexyl S-(2-(diethylamino)ethyl ester?
The molecular weight of Phosphonothioic acid, methyl-, O-cyclohexyl S-(2-(diethylamino)ethyl ester is 293.16 g/mol.
Where can I buy Phosphonothioic acid, methyl-, O-cyclohexyl S-(2-(diethylamino)ethyl ester?
You can request a quote for Phosphonothioic acid, methyl-, O-cyclohexyl S-(2-(diethylamino)ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphonothioic acid, methyl-, O-cyclohexyl S-(2-(diethylamino)ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonothioic acid, methyl-, O-cyclohexyl S-(2-(diethylamino)ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.