F1063-0451
TL;DR: F1063-0451 (CAS 681814-11-9) is a chemical compound with molecular formula C23H20N2O6S2 and molecular weight 484.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[(5Z)-5-[(4-methoxycarbonylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]benzoic acid
Also Known As: F1063-0451, 4-{4-[(5Z)-5-{[4-(METHOXYCARBONYL)PHENYL]METHYLIDENE}-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-3-YL]BUTANAMIDO}BENZOIC ACID, (Z)-4-(4-(5-(4-(methoxycarbonyl)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanamido)benzoic acid, 4-[4-[(5Z)-5-[(4-methoxycarbonylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]benzoic acid, 4-[4-(5-{[4-(methoxycarbonyl)phenyl]methylene}-4-oxo-2-thioxo-1,3-thiazolidin- 3-yl)butanoylamino]benzoic acid
| Molecular Formula | C23H20N2O6S2 |
|---|---|
| Molecular Weight | 484.08 g/mol |
| LogP | 3.7915 |
| Topological Polar Surface Area | 113.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 484.0763 |
| Heavy Atoms | 33 |
| Complexity | 1126.6455 |
Chemical Identifiers
| CAS Number | 681814-11-9 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)NC3=CC=C(C=C3)C(=O)O |
Product Overview
F1063-0451 (CAS 681814-11-9), with molecular formula C23H20N2O6S2 and molecular weight 484.08 g/mol. IUPAC: 4-[4-[(5Z)-5-[(4-methoxycarbonylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]benzoic acid.
Chemical Property Profile of F1063-0451
Property Insights of F1063-0451
The XLogP value of 3.7915 indicates that F1063-0451 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.01 Ų falls within the moderate polarity range, balancing permeability and solubility for F1063-0451. Following Lipinski's Rule of Five, F1063-0451 has 2 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 F1063-0451?
The CAS number of F1063-0451 is 681814-11-9.
What is the molecular formula of F1063-0451?
The molecular formula of F1063-0451 is C23H20N2O6S2.
What is the molecular weight of F1063-0451?
The molecular weight of F1063-0451 is 484.08 g/mol.
Where can I buy F1063-0451?
You can request a quote for F1063-0451 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1063-0451?
Yes, KEHONG BIO provides custom synthesis services for F1063-0451 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.