1-Diphenoxyphosphoryl-3-piperidin-1-ylthiourea
TL;DR: 1-Diphenoxyphosphoryl-3-piperidin-1-ylthiourea (CAS 54529-75-8) is a chemical compound with molecular formula C18H22N3O3PS and molecular weight 391.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-diphenoxyphosphoryl-3-piperidin-1-ylthiourea
Also Known As: 1-diphenoxyphosphoryl-3-piperidin-1-ylthiourea, Diphenyl N-[(piperidin-1-yl)carbamothioyl]phosphoramidate
| Molecular Formula | C18H22N3O3PS |
|---|---|
| Molecular Weight | 391.11 g/mol |
| LogP | 4.1175 |
| Topological Polar Surface Area | 62.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 391.11194 |
| Heavy Atoms | 26 |
| Complexity | 709.2913 |
Chemical Identifiers
| CAS Number | 54529-75-8 |
|---|---|
| SMILES | C1CCN(CC1)NC(=S)NP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3 |
Product Overview
1-Diphenoxyphosphoryl-3-piperidin-1-ylthiourea (CAS 54529-75-8), with molecular formula C18H22N3O3PS and molecular weight 391.11 g/mol. IUPAC: 1-diphenoxyphosphoryl-3-piperidin-1-ylthiourea.
Chemical Property Profile of 1-Diphenoxyphosphoryl-3-piperidin-1-ylthiourea
Property Insights of 1-Diphenoxyphosphoryl-3-piperidin-1-ylthiourea
The XLogP value of 4.1175 indicates that 1-Diphenoxyphosphoryl-3-piperidin-1-ylthiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Diphenoxyphosphoryl-3-piperidin-1-ylthiourea. Following Lipinski's Rule of Five, 1-Diphenoxyphosphoryl-3-piperidin-1-ylthiourea has 2 hydrogen bond donor(s) and 5 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 1-Diphenoxyphosphoryl-3-piperidin-1-ylthiourea?
The CAS number of 1-Diphenoxyphosphoryl-3-piperidin-1-ylthiourea is 54529-75-8.
What is the molecular formula of 1-Diphenoxyphosphoryl-3-piperidin-1-ylthiourea?
The molecular formula of 1-Diphenoxyphosphoryl-3-piperidin-1-ylthiourea is C18H22N3O3PS.
What is the molecular weight of 1-Diphenoxyphosphoryl-3-piperidin-1-ylthiourea?
The molecular weight of 1-Diphenoxyphosphoryl-3-piperidin-1-ylthiourea is 391.11 g/mol.
Where can I buy 1-Diphenoxyphosphoryl-3-piperidin-1-ylthiourea?
You can request a quote for 1-Diphenoxyphosphoryl-3-piperidin-1-ylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Diphenoxyphosphoryl-3-piperidin-1-ylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-Diphenoxyphosphoryl-3-piperidin-1-ylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.