Ethyl (4-benzothiazol-2-ylbenzyl)(2-oxopyrrolidino)phosphinate
TL;DR: Ethyl (4-benzothiazol-2-ylbenzyl)(2-oxopyrrolidino)phosphinate (CAS 104608-36-8) is a chemical compound with molecular formula C20H21N2O3PS and molecular weight 400.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl-ethoxyphosphoryl]pyrrolidin-2-one
Also Known As: Ethyl (4-benzothiazol-2-ylbenzyl)(2-oxopyrrolidino)phosphinate, FOSTEDIL,2-OXOPYRROLIDINO ANANLOG, 1-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl-ethoxyphosphoryl]pyrrolidin-2-one, Ethyl ((4-(2-benzothiazolyl)phenyl)methyl)(2-oxo-1-pyrrolidinyl)phosphinate, ethyl {[4-(1,3-benzothiazol-2-yl)phenyl]methyl}(2-oxopyrrolidin-1-yl)phosphinate
| Molecular Formula | C20H21N2O3PS |
|---|---|
| Molecular Weight | 400.10 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 87.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 400.10104 |
| Heavy Atoms | 27 |
| Complexity | 582.0 |
Chemical Identifiers
| CAS Number | 104608-36-8 |
|---|---|
| SMILES | CCOP(=O)(CC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2)N4CCCC4=O |
| InChIKey | HTAUUADKDLLMRU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl (4-benzothiazol-2-ylbenzyl)(2-oxopyrrolidino)phosphinate (CAS 104608-36-8), with molecular formula C20H21N2O3PS and molecular weight 400.10 g/mol. IUPAC: 1-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl-ethoxyphosphoryl]pyrrolidin-2-one.
Chemical Property Profile of Ethyl (4-benzothiazol-2-ylbenzyl)(2-oxopyrrolidino)phosphinate
Property Insights of Ethyl (4-benzothiazol-2-ylbenzyl)(2-oxopyrrolidino)phosphinate
The XLogP value of 3.0 indicates that Ethyl (4-benzothiazol-2-ylbenzyl)(2-oxopyrrolidino)phosphinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl (4-benzothiazol-2-ylbenzyl)(2-oxopyrrolidino)phosphinate. Following Lipinski's Rule of Five, Ethyl (4-benzothiazol-2-ylbenzyl)(2-oxopyrrolidino)phosphinate has 0 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 Ethyl (4-benzothiazol-2-ylbenzyl)(2-oxopyrrolidino)phosphinate?
The CAS number of Ethyl (4-benzothiazol-2-ylbenzyl)(2-oxopyrrolidino)phosphinate is 104608-36-8.
What is the molecular formula of Ethyl (4-benzothiazol-2-ylbenzyl)(2-oxopyrrolidino)phosphinate?
The molecular formula of Ethyl (4-benzothiazol-2-ylbenzyl)(2-oxopyrrolidino)phosphinate is C20H21N2O3PS.
What is the molecular weight of Ethyl (4-benzothiazol-2-ylbenzyl)(2-oxopyrrolidino)phosphinate?
The molecular weight of Ethyl (4-benzothiazol-2-ylbenzyl)(2-oxopyrrolidino)phosphinate is 400.10 g/mol.
Where can I buy Ethyl (4-benzothiazol-2-ylbenzyl)(2-oxopyrrolidino)phosphinate?
You can request a quote for Ethyl (4-benzothiazol-2-ylbenzyl)(2-oxopyrrolidino)phosphinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (4-benzothiazol-2-ylbenzyl)(2-oxopyrrolidino)phosphinate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (4-benzothiazol-2-ylbenzyl)(2-oxopyrrolidino)phosphinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.