4-(4-(((4-Oxo-5-(phenylmethylene)-2-thioxo-3-thiazolidinyl)methyl)amino)benzoyl)morpholine
TL;DR: 4-(4-(((4-Oxo-5-(phenylmethylene)-2-thioxo-3-thiazolidinyl)methyl)amino)benzoyl)morpholine (CAS 104183-47-3) is a chemical compound with molecular formula C22H21N3O3S2 and molecular weight 439.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-benzylidene-3-[[4-(morpholine-4-carbonyl)anilino]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 4-(4-(((4-Oxo-5-(phenylmethylene)-2-thioxo-3-thiazolidinyl)methyl)amino)benzoyl)morpholine, Morpholine, 4-(4-(((4-oxo-5-(phenylmethylene)-2-thioxo-3-thiazolidinyl)methyl)amino)benzoyl)-, (5E)-5-benzylidene-3-[[4-(morpholine-4-carbonyl)anilino]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one, RefChem:1089987, BRN 5651194
| Molecular Formula | C22H21N3O3S2 |
|---|---|
| Molecular Weight | 439.10 g/mol |
| LogP | 3.4298 |
| Topological Polar Surface Area | 61.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 439.10245 |
| Heavy Atoms | 30 |
| Complexity | 970.8821 |
Chemical Identifiers
| CAS Number | 104183-47-3 |
|---|---|
| SMILES | C1COCCN1C(=O)C2=CC=C(C=C2)NCN3C(=O)/C(=C\C4=CC=CC=C4)/SC3=S |
Product Overview
4-(4-(((4-Oxo-5-(phenylmethylene)-2-thioxo-3-thiazolidinyl)methyl)amino)benzoyl)morpholine (CAS 104183-47-3), with molecular formula C22H21N3O3S2 and molecular weight 439.10 g/mol. IUPAC: (5E)-5-benzylidene-3-[[4-(morpholine-4-carbonyl)anilino]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 4-(4-(((4-Oxo-5-(phenylmethylene)-2-thioxo-3-thiazolidinyl)methyl)amino)benzoyl)morpholine
Property Insights of 4-(4-(((4-Oxo-5-(phenylmethylene)-2-thioxo-3-thiazolidinyl)methyl)amino)benzoyl)morpholine
The XLogP value of 3.4298 indicates that 4-(4-(((4-Oxo-5-(phenylmethylene)-2-thioxo-3-thiazolidinyl)methyl)amino)benzoyl)morpholine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-(((4-Oxo-5-(phenylmethylene)-2-thioxo-3-thiazolidinyl)methyl)amino)benzoyl)morpholine. Following Lipinski's Rule of Five, 4-(4-(((4-Oxo-5-(phenylmethylene)-2-thioxo-3-thiazolidinyl)methyl)amino)benzoyl)morpholine has 1 hydrogen bond donor(s) and 6 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 4-(4-(((4-Oxo-5-(phenylmethylene)-2-thioxo-3-thiazolidinyl)methyl)amino)benzoyl)morpholine?
The CAS number of 4-(4-(((4-Oxo-5-(phenylmethylene)-2-thioxo-3-thiazolidinyl)methyl)amino)benzoyl)morpholine is 104183-47-3.
What is the molecular formula of 4-(4-(((4-Oxo-5-(phenylmethylene)-2-thioxo-3-thiazolidinyl)methyl)amino)benzoyl)morpholine?
The molecular formula of 4-(4-(((4-Oxo-5-(phenylmethylene)-2-thioxo-3-thiazolidinyl)methyl)amino)benzoyl)morpholine is C22H21N3O3S2.
What is the molecular weight of 4-(4-(((4-Oxo-5-(phenylmethylene)-2-thioxo-3-thiazolidinyl)methyl)amino)benzoyl)morpholine?
The molecular weight of 4-(4-(((4-Oxo-5-(phenylmethylene)-2-thioxo-3-thiazolidinyl)methyl)amino)benzoyl)morpholine is 439.10 g/mol.
Where can I buy 4-(4-(((4-Oxo-5-(phenylmethylene)-2-thioxo-3-thiazolidinyl)methyl)amino)benzoyl)morpholine?
You can request a quote for 4-(4-(((4-Oxo-5-(phenylmethylene)-2-thioxo-3-thiazolidinyl)methyl)amino)benzoyl)morpholine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-(((4-Oxo-5-(phenylmethylene)-2-thioxo-3-thiazolidinyl)methyl)amino)benzoyl)morpholine?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-(((4-Oxo-5-(phenylmethylene)-2-thioxo-3-thiazolidinyl)methyl)amino)benzoyl)morpholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.