F1025-0138
TL;DR: F1025-0138 (CAS 461682-30-4) is a chemical compound with molecular formula C19H16BrNO4S3 and molecular weight 496.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5E)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-methylsulfanylbutanoic acid
Also Known As: F1025-0138, 2-[(5E)-5-{[5-(4-BROMOPHENYL)FURAN-2-YL]METHYLIDENE}-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-3-YL]-4-(METHYLSULFANYL)BUTANOIC ACID, (E)-2-(5-((5-(4-bromophenyl)furan-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)-4-(methylthio)butanoic acid, 2-[(5E)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-methylsulfanylbutanoic acid, 2-(5-{[5-(4-bromophenyl)(2-furyl)]methylene}-4-oxo-2-thioxo(1,3-thiazolidin-3- yl))-4-methylthiobutanoic acid
| Molecular Formula | C19H16BrNO4S3 |
|---|---|
| Molecular Weight | 496.94 g/mol |
| LogP | 5.1166 |
| Topological Polar Surface Area | 70.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 496.94247 |
| Heavy Atoms | 28 |
| Complexity | 938.91034 |
Chemical Identifiers
| CAS Number | 461682-30-4 |
|---|---|
| SMILES | CSCCC(C(=O)O)N1C(=O)/C(=C\C2=CC=C(O2)C3=CC=C(C=C3)Br)/SC1=S |
Product Overview
F1025-0138 (CAS 461682-30-4), with molecular formula C19H16BrNO4S3 and molecular weight 496.94 g/mol. IUPAC: 2-[(5E)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-methylsulfanylbutanoic acid.
Chemical Property Profile of F1025-0138
Property Insights of F1025-0138
The XLogP value of 5.1166 indicates that F1025-0138 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.75 Ų falls within the moderate polarity range, balancing permeability and solubility for F1025-0138. Following Lipinski's Rule of Five, F1025-0138 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F1025-0138?
The CAS number of F1025-0138 is 461682-30-4.
What is the molecular formula of F1025-0138?
The molecular formula of F1025-0138 is C19H16BrNO4S3.
What is the molecular weight of F1025-0138?
The molecular weight of F1025-0138 is 496.94 g/mol.
Where can I buy F1025-0138?
You can request a quote for F1025-0138 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1025-0138?
Yes, KEHONG BIO provides custom synthesis services for F1025-0138 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.