F1691-2245
TL;DR: F1691-2245 (CAS 868148-16-7) is a chemical compound with molecular formula C13H11NO6S3 and molecular weight 372.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid
Also Known As: F1691-2245, 2-[(5Z)-5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethane-1-sulfonic acid, (Z)-2-(5-(benzo[d][1,3]dioxol-5-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)ethanesulfonic acid, 2-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid, 2-[5-(2H-benzo[3,4-d]1,3-dioxolan-5-ylmethylene)-4-oxo-2-thioxo-1,3-thiazolidi n-3-yl]ethanesulfonic acid
| Molecular Formula | C13H11NO6S3 |
|---|---|
| Molecular Weight | 372.97 g/mol |
| LogP | 1.5043 |
| Topological Polar Surface Area | 93.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 372.97485 |
| Heavy Atoms | 23 |
| Complexity | 816.9988 |
Chemical Identifiers
| CAS Number | 868148-16-7 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)/C=C\3/C(=O)N(C(=S)S3)CCS(=O)(=O)O |
Product Overview
F1691-2245 (CAS 868148-16-7), with molecular formula C13H11NO6S3 and molecular weight 372.97 g/mol. IUPAC: 2-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid.
Chemical Property Profile of F1691-2245
Property Insights of F1691-2245
The XLogP value of 1.5043 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F1691-2245. The TPSA of 93.14 Ų falls within the moderate polarity range, balancing permeability and solubility for F1691-2245. Following Lipinski's Rule of Five, F1691-2245 has 1 hydrogen bond donor(s) and 7 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 F1691-2245?
The CAS number of F1691-2245 is 868148-16-7.
What is the molecular formula of F1691-2245?
The molecular formula of F1691-2245 is C13H11NO6S3.
What is the molecular weight of F1691-2245?
The molecular weight of F1691-2245 is 372.97 g/mol.
Where can I buy F1691-2245?
You can request a quote for F1691-2245 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1691-2245?
Yes, KEHONG BIO provides custom synthesis services for F1691-2245 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.