F1063-0044
TL;DR: F1063-0044 (CAS 681480-34-2) is a chemical compound with molecular formula C21H18N2O5S2 and molecular weight 442.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-3-[(5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamide
Also Known As: F1063-0044, (Z)-N-(benzo[d][1,3]dioxol-5-yl)-3-(5-(2-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamide, N-(1,3-benzodioxol-5-yl)-3-[(5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamide, N-(2H-1,3-BENZODIOXOL-5-YL)-3-[(5Z)-5-[(2-METHOXYPHENYL)METHYLIDENE]-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-3-YL]PROPANAMIDE, N-(2H-benzo[3,4-d]1,3-dioxolan-5-yl)-3-{5-[(2-methoxyphenyl)methylene]-4-oxo-2 -thioxo(1,3-thiazolidin-3-yl)}propanamide
| Molecular Formula | C21H18N2O5S2 |
|---|---|
| Molecular Weight | 442.07 g/mol |
| LogP | 3.6539 |
| Topological Polar Surface Area | 77.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 442.0657 |
| Heavy Atoms | 30 |
| Complexity | 1053.4423 |
Chemical Identifiers
| CAS Number | 681480-34-2 |
|---|---|
| SMILES | COC1=CC=CC=C1/C=C\2/C(=O)N(C(=S)S2)CCC(=O)NC3=CC4=C(C=C3)OCO4 |
Product Overview
F1063-0044 (CAS 681480-34-2), with molecular formula C21H18N2O5S2 and molecular weight 442.07 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-3-[(5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamide.
Chemical Property Profile of F1063-0044
Property Insights of F1063-0044
The XLogP value of 3.6539 indicates that F1063-0044 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for F1063-0044. Following Lipinski's Rule of Five, F1063-0044 has 1 hydrogen bond donor(s) and 7 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 F1063-0044?
The CAS number of F1063-0044 is 681480-34-2.
What is the molecular formula of F1063-0044?
The molecular formula of F1063-0044 is C21H18N2O5S2.
What is the molecular weight of F1063-0044?
The molecular weight of F1063-0044 is 442.07 g/mol.
Where can I buy F1063-0044?
You can request a quote for F1063-0044 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1063-0044?
Yes, KEHONG BIO provides custom synthesis services for F1063-0044 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.