1-(1-Adamantyl)-3-diethoxyphosphorylthiourea
TL;DR: 1-(1-Adamantyl)-3-diethoxyphosphorylthiourea (CAS 56252-47-2) is a chemical compound with molecular formula C15H27N2O3PS and molecular weight 346.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-adamantyl)-3-diethoxyphosphorylthiourea
Also Known As: 1-(1-adamantyl)-3-diethoxyphosphorylthiourea, 1-(1-adamantyl)-3-diethoxyphosphoryl-thiourea, Diethyl N-[(adamantan-1-yl)carbamothioyl]phosphoramidate, Phosphoramidic acid, [thioxo(tricyclo[3.3.1.1~3,7~]dec-1-ylamino)methyl]-, diethyl ester
| Molecular Formula | C15H27N2O3PS |
|---|---|
| Molecular Weight | 346.15 g/mol |
| LogP | 3.6004 |
| Topological Polar Surface Area | 59.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 346.148 |
| Heavy Atoms | 22 |
| Complexity | 440.1238 |
Chemical Identifiers
| CAS Number | 56252-47-2 |
|---|---|
| SMILES | CCOP(=O)(NC(=S)NC12CC3CC(C1)CC(C3)C2)OCC |
Product Overview
1-(1-Adamantyl)-3-diethoxyphosphorylthiourea (CAS 56252-47-2), with molecular formula C15H27N2O3PS and molecular weight 346.15 g/mol. IUPAC: 1-(1-adamantyl)-3-diethoxyphosphorylthiourea.
Chemical Property Profile of 1-(1-Adamantyl)-3-diethoxyphosphorylthiourea
Property Insights of 1-(1-Adamantyl)-3-diethoxyphosphorylthiourea
The XLogP value of 3.6004 indicates that 1-(1-Adamantyl)-3-diethoxyphosphorylthiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.59 Ų, 1-(1-Adamantyl)-3-diethoxyphosphorylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1-Adamantyl)-3-diethoxyphosphorylthiourea has 2 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 1-(1-Adamantyl)-3-diethoxyphosphorylthiourea?
The CAS number of 1-(1-Adamantyl)-3-diethoxyphosphorylthiourea is 56252-47-2.
What is the molecular formula of 1-(1-Adamantyl)-3-diethoxyphosphorylthiourea?
The molecular formula of 1-(1-Adamantyl)-3-diethoxyphosphorylthiourea is C15H27N2O3PS.
What is the molecular weight of 1-(1-Adamantyl)-3-diethoxyphosphorylthiourea?
The molecular weight of 1-(1-Adamantyl)-3-diethoxyphosphorylthiourea is 346.15 g/mol.
Where can I buy 1-(1-Adamantyl)-3-diethoxyphosphorylthiourea?
You can request a quote for 1-(1-Adamantyl)-3-diethoxyphosphorylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1-Adamantyl)-3-diethoxyphosphorylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-Adamantyl)-3-diethoxyphosphorylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.