F1691-2839
TL;DR: F1691-2839 (CAS 881805-77-2) is a chemical compound with molecular formula C13H14N2O4S3 and molecular weight 358.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5E)-5-[1-(3-aminophenyl)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid
Also Known As: F1691-2839, 2-[(5E)-5-[1-(3-aminophenyl)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethane-1-sulfonic acid, (E)-2-(5-(1-(3-aminophenyl)ethylidene)-4-oxo-2-thioxothiazolidin-3-yl)ethanesulfonic acid, 2-[(5E)-5-[1-(3-aminophenyl)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid, 2-{5-[(3-aminophenyl)ethylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}ethanesul fonic acid
| Molecular Formula | C13H14N2O4S3 |
|---|---|
| Molecular Weight | 358.01 g/mol |
| LogP | 1.7479 |
| Topological Polar Surface Area | 100.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 358.01157 |
| Heavy Atoms | 22 |
| Complexity | 771.2448 |
Chemical Identifiers
| CAS Number | 881805-77-2 |
|---|---|
| SMILES | C/C(=C\1/C(=O)N(C(=S)S1)CCS(=O)(=O)O)/C2=CC(=CC=C2)N |
Product Overview
F1691-2839 (CAS 881805-77-2), with molecular formula C13H14N2O4S3 and molecular weight 358.01 g/mol. IUPAC: 2-[(5E)-5-[1-(3-aminophenyl)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid.
Chemical Property Profile of F1691-2839
Property Insights of F1691-2839
The XLogP value of 1.7479 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F1691-2839. The TPSA of 100.7 Ų falls within the moderate polarity range, balancing permeability and solubility for F1691-2839. Following Lipinski's Rule of Five, F1691-2839 has 2 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 F1691-2839?
The CAS number of F1691-2839 is 881805-77-2.
What is the molecular formula of F1691-2839?
The molecular formula of F1691-2839 is C13H14N2O4S3.
What is the molecular weight of F1691-2839?
The molecular weight of F1691-2839 is 358.01 g/mol.
Where can I buy F1691-2839?
You can request a quote for F1691-2839 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1691-2839?
Yes, KEHONG BIO provides custom synthesis services for F1691-2839 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.