F1951-0472
TL;DR: F1951-0472 (CAS 872696-45-2) is a chemical compound with molecular formula C18H11NO6S2 and molecular weight 401.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-hydroxybenzoic acid
Also Known As: F1951-0472, 4-[(5Z)-5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-hydroxybenzoic acid, (Z)-4-(5-(benzo[d][1,3]dioxol-5-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)-2-hydroxybenzoic acid, 4-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-hydroxybenzoic acid, 4-[5-(2H-benzo[3,4-d]1,3-dioxolan-5-ylmethylene)-4-oxo-2-thioxo(1,3-thiazolidi n-3-yl)]-2-hydroxybenzoic acid
| Molecular Formula | C18H11NO6S2 |
|---|---|
| Molecular Weight | 401.00 g/mol |
| LogP | 3.2249 |
| Topological Polar Surface Area | 96.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 401.00278 |
| Heavy Atoms | 27 |
| Complexity | 1032.5071 |
Chemical Identifiers
| CAS Number | 872696-45-2 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)/C=C\3/C(=O)N(C(=S)S3)C4=CC(=C(C=C4)C(=O)O)O |
Product Overview
F1951-0472 (CAS 872696-45-2), with molecular formula C18H11NO6S2 and molecular weight 401.00 g/mol. IUPAC: 4-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-hydroxybenzoic acid.
Chemical Property Profile of F1951-0472
Property Insights of F1951-0472
The XLogP value of 3.2249 indicates that F1951-0472 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.3 Ų falls within the moderate polarity range, balancing permeability and solubility for F1951-0472. Following Lipinski's Rule of Five, F1951-0472 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 F1951-0472?
The CAS number of F1951-0472 is 872696-45-2.
What is the molecular formula of F1951-0472?
The molecular formula of F1951-0472 is C18H11NO6S2.
What is the molecular weight of F1951-0472?
The molecular weight of F1951-0472 is 401.00 g/mol.
Where can I buy F1951-0472?
You can request a quote for F1951-0472 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1951-0472?
Yes, KEHONG BIO provides custom synthesis services for F1951-0472 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.