IFLab1_004160
TL;DR: IFLab1_004160 (CAS 356572-72-0) is a chemical compound with molecular formula C22H29N3O3S2 and molecular weight 447.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5Z)-5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide
Also Known As: IFLab1_004160, (Z)-3-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-N-(3-morpholinopropyl)propanamide, 3-[(5Z)-5-[(4-ETHYLPHENYL)METHYLIDENE]-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-3-YL]-N-[3-(MORPHOLIN-4-YL)PROPYL]PROPANAMIDE, 3-[(5Z)-5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide, 3-[(5Z)-5-(4-ethylbenzylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-[3-(morpholin-4-yl)propyl]propanamide
| Molecular Formula | C22H29N3O3S2 |
|---|---|
| Molecular Weight | 447.17 g/mol |
| LogP | 2.6788 |
| Topological Polar Surface Area | 61.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 447.16504 |
| Heavy Atoms | 30 |
| Complexity | 789.32245 |
Chemical Identifiers
| CAS Number | 356572-72-0 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)NCCCN3CCOCC3 |
Product Overview
IFLab1_004160 (CAS 356572-72-0), with molecular formula C22H29N3O3S2 and molecular weight 447.17 g/mol. IUPAC: 3-[(5Z)-5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide.
Chemical Property Profile of IFLab1_004160
Property Insights of IFLab1_004160
The XLogP value of 2.6788 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IFLab1_004160. The TPSA of 61.88 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_004160. Following Lipinski's Rule of Five, IFLab1_004160 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 IFLab1_004160?
The CAS number of IFLab1_004160 is 356572-72-0.
What is the molecular formula of IFLab1_004160?
The molecular formula of IFLab1_004160 is C22H29N3O3S2.
What is the molecular weight of IFLab1_004160?
The molecular weight of IFLab1_004160 is 447.17 g/mol.
Where can I buy IFLab1_004160?
You can request a quote for IFLab1_004160 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_004160?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_004160 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.