![3-[4-(1,3-Dithiolan-2-yl)phenyl]-5-(ethoxyisopropylaminophosphoryl)thiomethyl-1,2,4-oxadiazole structure](/static/products/2871/287197-11-9.webp)
3-[4-(1,3-Dithiolan-2-yl)phenyl]-5-(ethoxyisopropylaminophosphoryl)thiomethyl-1,2,4-oxadiazole
TL;DR: 3-[4-(1,3-Dithiolan-2-yl)phenyl]-5-(ethoxyisopropylaminophosphoryl)thiomethyl-1,2,4-oxadiazole (CAS 287197-11-9) is a chemical compound with molecular formula C17H24N3O3PS3 and molecular weight 445.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[3-[4-(1,3-dithiolan-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methylsulfanyl-ethoxyphosphoryl]propan-2-amine
Also Known As: 3-[4-(1,3-Dithiolan-2-yl)phenyl]-5-(ethoxyisopropylaminophosphoryl)thiomethyl-1,2,4-oxadiazole, Phosphoramidothioic acid, (1-methylethyl)-, S-[[3-[4-(1,3-dithiolan-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl] O-ethyl ester, [({3-[4-(1,3-dithiolan-2-yl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl(ethoxy)phosphoryl](isopropyl)amine, N-[[3-[4-(1,3-dithiolan-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methylsulfanyl-ethoxyphosphoryl]propan-2-amine
| Molecular Formula | C17H24N3O3PS3 |
|---|---|
| Molecular Weight | 445.07 g/mol |
| LogP | 5.591 |
| Topological Polar Surface Area | 77.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 445.07175 |
| Heavy Atoms | 27 |
| Complexity | 779.23083 |
Chemical Identifiers
| CAS Number | 287197-11-9 |
|---|---|
| SMILES | CCOP(=O)(NC(C)C)SCC1=NC(=NO1)C2=CC=C(C=C2)C3SCCS3 |
Product Overview
3-[4-(1,3-Dithiolan-2-yl)phenyl]-5-(ethoxyisopropylaminophosphoryl)thiomethyl-1,2,4-oxadiazole (CAS 287197-11-9), with molecular formula C17H24N3O3PS3 and molecular weight 445.07 g/mol. IUPAC: N-[[3-[4-(1,3-dithiolan-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methylsulfanyl-ethoxyphosphoryl]propan-2-amine.
Chemical Property Profile of 3-[4-(1,3-Dithiolan-2-yl)phenyl]-5-(ethoxyisopropylaminophosphoryl)thiomethyl-1,2,4-oxadiazole
Property Insights of 3-[4-(1,3-Dithiolan-2-yl)phenyl]-5-(ethoxyisopropylaminophosphoryl)thiomethyl-1,2,4-oxadiazole
The XLogP value of 5.591 indicates that 3-[4-(1,3-Dithiolan-2-yl)phenyl]-5-(ethoxyisopropylaminophosphoryl)thiomethyl-1,2,4-oxadiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[4-(1,3-Dithiolan-2-yl)phenyl]-5-(ethoxyisopropylaminophosphoryl)thiomethyl-1,2,4-oxadiazole. Following Lipinski's Rule of Five, 3-[4-(1,3-Dithiolan-2-yl)phenyl]-5-(ethoxyisopropylaminophosphoryl)thiomethyl-1,2,4-oxadiazole has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[4-(1,3-Dithiolan-2-yl)phenyl]-5-(ethoxyisopropylaminophosphoryl)thiomethyl-1,2,4-oxadiazole?
The CAS number of 3-[4-(1,3-Dithiolan-2-yl)phenyl]-5-(ethoxyisopropylaminophosphoryl)thiomethyl-1,2,4-oxadiazole is 287197-11-9.
What is the molecular formula of 3-[4-(1,3-Dithiolan-2-yl)phenyl]-5-(ethoxyisopropylaminophosphoryl)thiomethyl-1,2,4-oxadiazole?
The molecular formula of 3-[4-(1,3-Dithiolan-2-yl)phenyl]-5-(ethoxyisopropylaminophosphoryl)thiomethyl-1,2,4-oxadiazole is C17H24N3O3PS3.
What is the molecular weight of 3-[4-(1,3-Dithiolan-2-yl)phenyl]-5-(ethoxyisopropylaminophosphoryl)thiomethyl-1,2,4-oxadiazole?
The molecular weight of 3-[4-(1,3-Dithiolan-2-yl)phenyl]-5-(ethoxyisopropylaminophosphoryl)thiomethyl-1,2,4-oxadiazole is 445.07 g/mol.
Where can I buy 3-[4-(1,3-Dithiolan-2-yl)phenyl]-5-(ethoxyisopropylaminophosphoryl)thiomethyl-1,2,4-oxadiazole?
You can request a quote for 3-[4-(1,3-Dithiolan-2-yl)phenyl]-5-(ethoxyisopropylaminophosphoryl)thiomethyl-1,2,4-oxadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[4-(1,3-Dithiolan-2-yl)phenyl]-5-(ethoxyisopropylaminophosphoryl)thiomethyl-1,2,4-oxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-(1,3-Dithiolan-2-yl)phenyl]-5-(ethoxyisopropylaminophosphoryl)thiomethyl-1,2,4-oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.