F1691-1087
TL;DR: F1691-1087 (CAS 881817-72-7) is a chemical compound with molecular formula C22H14N2O6S2 and molecular weight 466.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-3-[(5E)-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid
Also Known As: F1691-1087, 4-methyl-3-[(5E)-5-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid, (E)-4-methyl-3-(5-((5-(4-nitrophenyl)furan-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)benzoic acid, 4-methyl-3-[(5E)-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid, 2-[(E)-5-{[5-(p-nitrophenyl)-2-furyl]methylene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-4-toluic acid
| Molecular Formula | C22H14N2O6S2 |
|---|---|
| Molecular Weight | 466.03 g/mol |
| LogP | 5.26722 |
| Topological Polar Surface Area | 113.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 466.02933 |
| Heavy Atoms | 32 |
| Complexity | 1310.2102 |
Chemical Identifiers
| CAS Number | 881817-72-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)O)N2C(=O)/C(=C\C3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-])/SC2=S |
Product Overview
F1691-1087 (CAS 881817-72-7), with molecular formula C22H14N2O6S2 and molecular weight 466.03 g/mol. IUPAC: 4-methyl-3-[(5E)-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid.
Chemical Property Profile of F1691-1087
Property Insights of F1691-1087
The XLogP value of 5.26722 indicates that F1691-1087 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.89 Ų falls within the moderate polarity range, balancing permeability and solubility for F1691-1087. Following Lipinski's Rule of Five, F1691-1087 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F1691-1087?
The CAS number of F1691-1087 is 881817-72-7.
What is the molecular formula of F1691-1087?
The molecular formula of F1691-1087 is C22H14N2O6S2.
What is the molecular weight of F1691-1087?
The molecular weight of F1691-1087 is 466.03 g/mol.
Where can I buy F1691-1087?
You can request a quote for F1691-1087 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1691-1087?
Yes, KEHONG BIO provides custom synthesis services for F1691-1087 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.