IFLab1_004681
TL;DR: IFLab1_004681 (CAS 637317-74-9) is a chemical compound with molecular formula C21H21N3O3S2 and molecular weight 427.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-methyl-1,2-oxazol-3-yl)-4-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide
Also Known As: IFLab1_004681, IDI1_010436, F1063-2643, 4-((Z)-5-((E)-2-methyl-3-phenylallylidene)-4-oxo-2-thioxothiazolidin-3-yl)-N-(5-methylisoxazol-3-yl)butanamide, N-(5-METHYL-1,2-OXAZOL-3-YL)-4-[(5Z)-5-[(2E)-2-METHYL-3-PHENYLPROP-2-EN-1-YLIDENE]-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-3-YL]BUTANAMIDE
| Molecular Formula | C21H21N3O3S2 |
|---|---|
| Molecular Weight | 427.10 g/mol |
| LogP | 4.54942 |
| Topological Polar Surface Area | 75.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 427.10245 |
| Heavy Atoms | 29 |
| Complexity | 980.0674 |
Chemical Identifiers
| CAS Number | 637317-74-9 |
|---|---|
| SMILES | CC1=CC(=NO1)NC(=O)CCCN2C(=O)/C(=C/C(=C/C3=CC=CC=C3)/C)/SC2=S |
Product Overview
IFLab1_004681 (CAS 637317-74-9), with molecular formula C21H21N3O3S2 and molecular weight 427.10 g/mol. IUPAC: N-(5-methyl-1,2-oxazol-3-yl)-4-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide.
Chemical Property Profile of IFLab1_004681
Property Insights of IFLab1_004681
The XLogP value of 4.54942 indicates that IFLab1_004681 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.44 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_004681. Following Lipinski's Rule of Five, IFLab1_004681 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_004681?
The CAS number of IFLab1_004681 is 637317-74-9.
What is the molecular formula of IFLab1_004681?
The molecular formula of IFLab1_004681 is C21H21N3O3S2.
What is the molecular weight of IFLab1_004681?
The molecular weight of IFLab1_004681 is 427.10 g/mol.
Where can I buy IFLab1_004681?
You can request a quote for IFLab1_004681 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_004681?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_004681 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.