F1063-0036
TL;DR: F1063-0036 (CAS 681480-26-2) 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.
4-[3-[(5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]benzoic acid
Also Known As: F1063-0036, 4-{3-[(5Z)-5-[(2-METHOXYPHENYL)METHYLIDENE]-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-3-YL]PROPANAMIDO}BENZOIC ACID, (Z)-4-(3-(5-(2-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)benzoic acid, 4-[3-[(5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]benzoic acid, 4-(3-{5-[(2-methoxyphenyl)methylene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propa noylamino)benzoic acid
| Molecular Formula | C21H18N2O5S2 |
|---|---|
| Molecular Weight | 442.07 g/mol |
| LogP | 3.6234 |
| Topological Polar Surface Area | 95.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 442.0657 |
| Heavy Atoms | 30 |
| Complexity | 1033.9471 |
Chemical Identifiers
| CAS Number | 681480-26-2 |
|---|---|
| SMILES | COC1=CC=CC=C1/C=C\2/C(=O)N(C(=S)S2)CCC(=O)NC3=CC=C(C=C3)C(=O)O |
Product Overview
F1063-0036 (CAS 681480-26-2), with molecular formula C21H18N2O5S2 and molecular weight 442.07 g/mol. IUPAC: 4-[3-[(5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]benzoic acid.
Chemical Property Profile of F1063-0036
Property Insights of F1063-0036
The XLogP value of 3.6234 indicates that F1063-0036 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.94 Ų falls within the moderate polarity range, balancing permeability and solubility for F1063-0036. Following Lipinski's Rule of Five, F1063-0036 has 2 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 F1063-0036?
The CAS number of F1063-0036 is 681480-26-2.
What is the molecular formula of F1063-0036?
The molecular formula of F1063-0036 is C21H18N2O5S2.
What is the molecular weight of F1063-0036?
The molecular weight of F1063-0036 is 442.07 g/mol.
Where can I buy F1063-0036?
You can request a quote for F1063-0036 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1063-0036?
Yes, KEHONG BIO provides custom synthesis services for F1063-0036 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.