F1691-2076
TL;DR: F1691-2076 (CAS 868148-12-3) is a chemical compound with molecular formula C15H15NO4S3 and molecular weight 369.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid
Also Known As: F1691-2076, 2-[(5Z)-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethane-1-sulfonic acid, 2-((Z)-5-((E)-2-methyl-3-phenylallylidene)-4-oxo-2-thioxothiazolidin-3-yl)ethanesulfonic acid, 2-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid, 2-[5-((2E)-2-methyl-3-phenylprop-2-enylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3 -yl]ethanesulfonic acid
| Molecular Formula | C15H15NO4S3 |
|---|---|
| Molecular Weight | 369.02 g/mol |
| LogP | 2.7219 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 369.01633 |
| Heavy Atoms | 23 |
| Complexity | 782.1998 |
Chemical Identifiers
| CAS Number | 868148-12-3 |
|---|---|
| SMILES | C/C(=C\C1=CC=CC=C1)/C=C\2/C(=O)N(C(=S)S2)CCS(=O)(=O)O |
Product Overview
F1691-2076 (CAS 868148-12-3), with molecular formula C15H15NO4S3 and molecular weight 369.02 g/mol. IUPAC: 2-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid.
Chemical Property Profile of F1691-2076
Property Insights of F1691-2076
The XLogP value of 2.7219 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F1691-2076. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for F1691-2076. Following Lipinski's Rule of Five, F1691-2076 has 1 hydrogen bond donor(s) and 5 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 F1691-2076?
The CAS number of F1691-2076 is 868148-12-3.
What is the molecular formula of F1691-2076?
The molecular formula of F1691-2076 is C15H15NO4S3.
What is the molecular weight of F1691-2076?
The molecular weight of F1691-2076 is 369.02 g/mol.
Where can I buy F1691-2076?
You can request a quote for F1691-2076 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1691-2076?
Yes, KEHONG BIO provides custom synthesis services for F1691-2076 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.