IFLab1_003421
TL;DR: IFLab1_003421 (CAS 300674-87-7) is a chemical compound with molecular formula C23H22N2O4S2 and molecular weight 454.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(3,4-dimethylphenyl)butanamide
Also Known As: IFLab1_003421, (Z)-4-(5-(benzo[d][1,3]dioxol-5-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)-N-(3,4-dimethylphenyl)butanamide, 4-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(3,4-dimethylphenyl)butanamide, 4-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-(3,4-dimethylphenyl)butanamide
| Molecular Formula | C23H22N2O4S2 |
|---|---|
| Molecular Weight | 454.10 g/mol |
| LogP | 4.65224 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 454.1021 |
| Heavy Atoms | 31 |
| Complexity | 1096.9792 |
Chemical Identifiers
| CAS Number | 300674-87-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)CCCN2C(=O)/C(=C/C3=CC4=C(C=C3)OCO4)/SC2=S)C |
Product Overview
IFLab1_003421 (CAS 300674-87-7), with molecular formula C23H22N2O4S2 and molecular weight 454.10 g/mol. IUPAC: 4-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(3,4-dimethylphenyl)butanamide.
Chemical Property Profile of IFLab1_003421
Property Insights of IFLab1_003421
The XLogP value of 4.65224 indicates that IFLab1_003421 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.87 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_003421. Following Lipinski's Rule of Five, IFLab1_003421 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_003421?
The CAS number of IFLab1_003421 is 300674-87-7.
What is the molecular formula of IFLab1_003421?
The molecular formula of IFLab1_003421 is C23H22N2O4S2.
What is the molecular weight of IFLab1_003421?
The molecular weight of IFLab1_003421 is 454.10 g/mol.
Where can I buy IFLab1_003421?
You can request a quote for IFLab1_003421 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_003421?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_003421 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.