RefChem:327288
TL;DR: RefChem:327288 (CAS 107859-85-8) is a chemical compound with molecular formula C22H22N2O4S3 and molecular weight 474.07416 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[[5-[(4-acetyl-3-hydroxy-2-propylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoic acid
Also Known As: Benzoic acid, 4-(((5-(((4-acetyl-3-hydroxy-2-propylphenyl)methyl)thio)-1,3,4-thiadiazol-2-yl)thio)methyl)-, 4-(((5-((4-Acetyl-3-hydroxy-2-propylbenzyl)thio)1,3,4-thiadiazol-2-yl)thio)methyl)benzoic acid, 4-[[5-[(4-acetyl-3-hydroxy-2-propylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoic acid, 4-{[(5-{[(4-Acetyl-3-hydroxy-2-propylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzoic acid, p-[[5-[(4-acetyl-3-hydroxy-2-propylbenzyl)-thio]-1,3,4-thiadiazol-2-yl]thiomethyl]benzoic acid
Technical Specifications
| Molecular Formula | C22H22N2O4S3 |
| Molecular Weight | 474.07416 g/mol |
| XLogP | 5.8 |
| Topological Polar Surface Area (TPSA) | 179.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 474.07416 Da |
| Heavy Atoms | 31 |
| Complexity | 603.0 |
| SMILES | CCCC1=C(C=CC(=C1O)C(=O)C)CSC2=NN=C(S2)SCC3=CC=C(C=C3)C(=O)O |
| InChIKey | YDAWSENOODYQBR-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:327288
Property Insights of RefChem:327288
The XLogP value of 5.8 indicates that RefChem:327288 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 179.0 Ų indicates high polarity, suggesting RefChem:327288 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:327288 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:327288?
The CAS number of RefChem:327288 is 107859-85-8.
What is the molecular formula of RefChem:327288?
The molecular formula of RefChem:327288 is C22H22N2O4S3.
What is the molecular weight of RefChem:327288?
The molecular weight of RefChem:327288 is 474.07416 g/mol.
Where can I buy RefChem:327288?
You can request a quote for RefChem:327288 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:327288?
Yes, CoreyChem provides custom synthesis services for RefChem:327288 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.