F1063-0693
TL;DR: F1063-0693 (CAS 681817-43-6) is a chemical compound with molecular formula C22H18N2O7S2 and molecular weight 486.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[4-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]-2-hydroxybenzoic acid
Also Known As: F1063-0693, 5-{4-[(5Z)-5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamido}-2-hydroxybenzoic acid, (Z)-5-(4-(5-(benzo[d][1,3]dioxol-5-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)butanamido)-2-hydroxybenzoic acid, 5-[4-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]-2-hydroxybenzoic acid, 5-{4-[5-(2H-benzo[3,4-d]1,3-dioxolan-5-ylmethylene)-4-oxo-2-thioxo(1,3-thiazol idin-3-yl)]butanoylamino}-2-hydroxybenzoic acid
| Molecular Formula | C22H18N2O7S2 |
|---|---|
| Molecular Weight | 486.06 g/mol |
| LogP | 3.4392 |
| Topological Polar Surface Area | 125.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 486.05554 |
| Heavy Atoms | 33 |
| Complexity | 1195.262 |
Chemical Identifiers
| CAS Number | 681817-43-6 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)/C=C\3/C(=O)N(C(=S)S3)CCCC(=O)NC4=CC(=C(C=C4)O)C(=O)O |
Product Overview
F1063-0693 (CAS 681817-43-6), with molecular formula C22H18N2O7S2 and molecular weight 486.06 g/mol. IUPAC: 5-[4-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]-2-hydroxybenzoic acid.
Chemical Property Profile of F1063-0693
Property Insights of F1063-0693
The XLogP value of 3.4392 indicates that F1063-0693 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 F1063-0693. Following Lipinski's Rule of Five, F1063-0693 has 3 hydrogen bond donor(s) and 8 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 F1063-0693?
The CAS number of F1063-0693 is 681817-43-6.
What is the molecular formula of F1063-0693?
The molecular formula of F1063-0693 is C22H18N2O7S2.
What is the molecular weight of F1063-0693?
The molecular weight of F1063-0693 is 486.06 g/mol.
Where can I buy F1063-0693?
You can request a quote for F1063-0693 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1063-0693?
Yes, KEHONG BIO provides custom synthesis services for F1063-0693 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.