IFLab1_004637
TL;DR: IFLab1_004637 (CAS 637317-75-0) is a chemical compound with molecular formula C22H21N3O2S2 and molecular weight 423.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-pyridin-3-ylbutanamide
Also Known As: IFLab1_004637, IDI1_010392, F1063-2631, 4-[(5Z)-5-[(2E)-2-METHYL-3-PHENYLPROP-2-EN-1-YLIDENE]-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-3-YL]-N-(PYRIDIN-3-YL)BUTANAMIDE, 4-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-pyridin-3-ylbutanamide
| Molecular Formula | C22H21N3O2S2 |
|---|---|
| Molecular Weight | 423.11 g/mol |
| LogP | 4.648 |
| Topological Polar Surface Area | 62.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 423.1075 |
| Heavy Atoms | 29 |
| Complexity | 956.53735 |
Chemical Identifiers
| CAS Number | 637317-75-0 |
|---|---|
| SMILES | C/C(=C\C1=CC=CC=C1)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)NC3=CN=CC=C3 |
Product Overview
IFLab1_004637 (CAS 637317-75-0), with molecular formula C22H21N3O2S2 and molecular weight 423.11 g/mol. IUPAC: 4-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-pyridin-3-ylbutanamide.
Chemical Property Profile of IFLab1_004637
Property Insights of IFLab1_004637
The XLogP value of 4.648 indicates that IFLab1_004637 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.3 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_004637. Following Lipinski's Rule of Five, IFLab1_004637 has 1 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 IFLab1_004637?
The CAS number of IFLab1_004637 is 637317-75-0.
What is the molecular formula of IFLab1_004637?
The molecular formula of IFLab1_004637 is C22H21N3O2S2.
What is the molecular weight of IFLab1_004637?
The molecular weight of IFLab1_004637 is 423.11 g/mol.
Where can I buy IFLab1_004637?
You can request a quote for IFLab1_004637 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_004637?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_004637 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.