F1063-0402
TL;DR: F1063-0402 (CAS 681813-67-2) is a chemical compound with molecular formula C23H22N2O7S2 and molecular weight 502.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[4-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]-2-hydroxybenzoic acid
Also Known As: F1063-0402, 5-{4-[(5Z)-5-[(3,4-DIMETHOXYPHENYL)METHYLIDENE]-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-3-YL]BUTANAMIDO}-2-HYDROXYBENZOIC ACID, (Z)-5-(4-(5-(3,4-dimethoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanamido)-2-hydroxybenzoic acid, 5-[4-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]-2-hydroxybenzoic acid, 5-(4-{5-[(3,4-dimethoxyphenyl)methylene]-4-oxo-2-thioxo(1,3-thiazolidin-3-yl)} butanoylamino)-2-hydroxybenzoic acid
| Molecular Formula | C23H22N2O7S2 |
|---|---|
| Molecular Weight | 502.09 g/mol |
| LogP | 3.7277 |
| Topological Polar Surface Area | 125.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 502.08685 |
| Heavy Atoms | 34 |
| Complexity | 1179.9038 |
Chemical Identifiers
| CAS Number | 681813-67-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)NC3=CC(=C(C=C3)O)C(=O)O)OC |
Product Overview
F1063-0402 (CAS 681813-67-2), with molecular formula C23H22N2O7S2 and molecular weight 502.09 g/mol. IUPAC: 5-[4-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]-2-hydroxybenzoic acid.
Chemical Property Profile of F1063-0402
Property Insights of F1063-0402
The XLogP value of 3.7277 indicates that F1063-0402 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.4 Ų falls within the moderate polarity range, balancing permeability and solubility for F1063-0402. Following Lipinski's Rule of Five, F1063-0402 has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F1063-0402?
The CAS number of F1063-0402 is 681813-67-2.
What is the molecular formula of F1063-0402?
The molecular formula of F1063-0402 is C23H22N2O7S2.
What is the molecular weight of F1063-0402?
The molecular weight of F1063-0402 is 502.09 g/mol.
Where can I buy F1063-0402?
You can request a quote for F1063-0402 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1063-0402?
Yes, KEHONG BIO provides custom synthesis services for F1063-0402 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.