F1063-0590
TL;DR: F1063-0590 (CAS 681815-22-5) is a chemical compound with molecular formula C21H17N3O7S2 and molecular weight 487.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-hydroxy-4-nitrophenyl)butanamide
Also Known As: F1063-0590, 4-[(5Z)-5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-hydroxy-4-nitrophenyl)butanamide, (Z)-4-(5-(benzo[d][1,3]dioxol-5-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)-N-(2-hydroxy-4-nitrophenyl)butanamide, 4-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-hydroxy-4-nitrophenyl)butanamide, 4-[5-(2H-benzo[3,4-d]1,3-dioxolan-5-ylmethylene)-4-oxo-2-thioxo(1,3-thiazolidi n-3-yl)]-N-(2-hydroxy-4-nitrophenyl)butanamide
| Molecular Formula | C21H17N3O7S2 |
|---|---|
| Molecular Weight | 487.05 g/mol |
| LogP | 3.6492 |
| Topological Polar Surface Area | 131.24 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 487.05078 |
| Heavy Atoms | 33 |
| Complexity | 1198.3759 |
Chemical Identifiers
| CAS Number | 681815-22-5 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)/C=C\3/C(=O)N(C(=S)S3)CCCC(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])O |
Product Overview
F1063-0590 (CAS 681815-22-5), with molecular formula C21H17N3O7S2 and molecular weight 487.05 g/mol. IUPAC: 4-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-hydroxy-4-nitrophenyl)butanamide.
Chemical Property Profile of F1063-0590
Property Insights of F1063-0590
The XLogP value of 3.6492 indicates that F1063-0590 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.24 Ų falls within the moderate polarity range, balancing permeability and solubility for F1063-0590. Following Lipinski's Rule of Five, F1063-0590 has 2 hydrogen bond donor(s) and 9 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 F1063-0590?
The CAS number of F1063-0590 is 681815-22-5.
What is the molecular formula of F1063-0590?
The molecular formula of F1063-0590 is C21H17N3O7S2.
What is the molecular weight of F1063-0590?
The molecular weight of F1063-0590 is 487.05 g/mol.
Where can I buy F1063-0590?
You can request a quote for F1063-0590 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1063-0590?
Yes, KEHONG BIO provides custom synthesis services for F1063-0590 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.