F1950-0008
TL;DR: F1950-0008 (CAS 845653-56-7) is a chemical compound with molecular formula C16H12N2O3S2 and molecular weight 344.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5E)-5-[(1-methylpyrrol-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid
Also Known As: F1950-0008, (E)-4-(5-((1-methyl-1H-pyrrol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)benzoic acid, 4-[(5E)-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid, 4-[(5E)-5-[(1-methylpyrrol-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid, 4-{5-[(1-methylpyrrol-2-yl)methylene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}benz oic acid
| Molecular Formula | C16H12N2O3S2 |
|---|---|
| Molecular Weight | 344.03 g/mol |
| LogP | 3.1291 |
| Topological Polar Surface Area | 62.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 344.02893 |
| Heavy Atoms | 23 |
| Complexity | 837.2652 |
Chemical Identifiers
| CAS Number | 845653-56-7 |
|---|---|
| SMILES | CN1C=CC=C1/C=C/2\C(=O)N(C(=S)S2)C3=CC=C(C=C3)C(=O)O |
Product Overview
F1950-0008 (CAS 845653-56-7), with molecular formula C16H12N2O3S2 and molecular weight 344.03 g/mol. IUPAC: 4-[(5E)-5-[(1-methylpyrrol-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid.
Chemical Property Profile of F1950-0008
Property Insights of F1950-0008
The XLogP value of 3.1291 indicates that F1950-0008 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.54 Ų falls within the moderate polarity range, balancing permeability and solubility for F1950-0008. Following Lipinski's Rule of Five, F1950-0008 has 1 hydrogen bond donor(s) and 4 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 F1950-0008?
The CAS number of F1950-0008 is 845653-56-7.
What is the molecular formula of F1950-0008?
The molecular formula of F1950-0008 is C16H12N2O3S2.
What is the molecular weight of F1950-0008?
The molecular weight of F1950-0008 is 344.03 g/mol.
Where can I buy F1950-0008?
You can request a quote for F1950-0008 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1950-0008?
Yes, KEHONG BIO provides custom synthesis services for F1950-0008 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.