Sortin2
TL;DR: Sortin2 (CAS 372972-39-9) is a chemical compound with molecular formula C16H12ClNO5S3 and molecular weight 428.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5E)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid
Also Known As: Sortin2, BAS 02234664, 2-[(5E)-5-{[5-(3-chlorophenyl)furan-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethane-1-sulfonic acid, 5-[[5-(3-Chlorophenyl)-2-furanyl]methylene]-4-oxo-2-thioxo-3-thiazolidineethanesulfonic acid, 2-[(5E)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid
| Molecular Formula | C16H12ClNO5S3 |
|---|---|
| Molecular Weight | 428.96 g/mol |
| LogP | 3.689 |
| Topological Polar Surface Area | 87.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.9566 |
| Heavy Atoms | 26 |
| Complexity | 1012.39746 |
Chemical Identifiers
| CAS Number | 372972-39-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)C2=CC=C(O2)/C=C/3\C(=O)N(C(=S)S3)CCS(=O)(=O)O |
Product Overview
Sortin2 (CAS 372972-39-9), with molecular formula C16H12ClNO5S3 and molecular weight 428.96 g/mol. IUPAC: 2-[(5E)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid.
Chemical Property Profile of Sortin2
Property Insights of Sortin2
The XLogP value of 3.689 indicates that Sortin2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.82 Ų falls within the moderate polarity range, balancing permeability and solubility for Sortin2. Following Lipinski's Rule of Five, Sortin2 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 Sortin2?
The CAS number of Sortin2 is 372972-39-9.
What is the molecular formula of Sortin2?
The molecular formula of Sortin2 is C16H12ClNO5S3.
What is the molecular weight of Sortin2?
The molecular weight of Sortin2 is 428.96 g/mol.
Where can I buy Sortin2?
You can request a quote for Sortin2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sortin2?
Yes, KEHONG BIO provides custom synthesis services for Sortin2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.