F1691-0225
TL;DR: F1691-0225 (CAS 853903-45-4) is a chemical compound with molecular formula C13H13NO5S3 and molecular weight 359.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid
Also Known As: F1691-0225, 2-[(5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethane-1-sulfonic acid, (Z)-2-(5-(2-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)ethanesulfonic acid, 2-[(5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid, 2-(5-(2-Methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)ethane-1-sulfonic acid
| Molecular Formula | C13H13NO5S3 |
|---|---|
| Molecular Weight | 359.00 g/mol |
| LogP | 1.7842 |
| Topological Polar Surface Area | 83.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 358.99557 |
| Heavy Atoms | 22 |
| Complexity | 741.79736 |
Chemical Identifiers
| CAS Number | 853903-45-4 |
|---|---|
| SMILES | COC1=CC=CC=C1/C=C\2/C(=O)N(C(=S)S2)CCS(=O)(=O)O |
Product Overview
F1691-0225 (CAS 853903-45-4), with molecular formula C13H13NO5S3 and molecular weight 359.00 g/mol. IUPAC: 2-[(5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid.
Chemical Property Profile of F1691-0225
Property Insights of F1691-0225
The XLogP value of 1.7842 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F1691-0225. The TPSA of 83.91 Ų falls within the moderate polarity range, balancing permeability and solubility for F1691-0225. Following Lipinski's Rule of Five, F1691-0225 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 F1691-0225?
The CAS number of F1691-0225 is 853903-45-4.
What is the molecular formula of F1691-0225?
The molecular formula of F1691-0225 is C13H13NO5S3.
What is the molecular weight of F1691-0225?
The molecular weight of F1691-0225 is 359.00 g/mol.
Where can I buy F1691-0225?
You can request a quote for F1691-0225 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1691-0225?
Yes, KEHONG BIO provides custom synthesis services for F1691-0225 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.