F1691-1985
TL;DR: F1691-1985 (CAS 868147-96-0) is a chemical compound with molecular formula C18H13N3O4S2 and molecular weight 399.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[(5Z)-5-[(2-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]phenyl]acetamide
Also Known As: F1691-1985, N-{4-[(5Z)-5-[(2-NITROPHENYL)METHYLIDENE]-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-3-YL]PHENYL}ACETAMIDE, (Z)-N-(4-(5-(2-nitrobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)phenyl)acetamide, N-[4-[(5Z)-5-[(2-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]phenyl]acetamide, N-(4-{5-[(2-nitrophenyl)methylene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}phenyl) acetamide
| Molecular Formula | C18H13N3O4S2 |
|---|---|
| Molecular Weight | 399.03 g/mol |
| LogP | 3.959 |
| Topological Polar Surface Area | 92.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 399.03476 |
| Heavy Atoms | 27 |
| Complexity | 986.3562 |
Chemical Identifiers
| CAS Number | 868147-96-0 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=CC=C3[N+](=O)[O-])/SC2=S |
Product Overview
F1691-1985 (CAS 868147-96-0), with molecular formula C18H13N3O4S2 and molecular weight 399.03 g/mol. IUPAC: N-[4-[(5Z)-5-[(2-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]phenyl]acetamide.
Chemical Property Profile of F1691-1985
Property Insights of F1691-1985
The XLogP value of 3.959 indicates that F1691-1985 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.55 Ų falls within the moderate polarity range, balancing permeability and solubility for F1691-1985. Following Lipinski's Rule of Five, F1691-1985 has 1 hydrogen bond donor(s) and 6 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 F1691-1985?
The CAS number of F1691-1985 is 868147-96-0.
What is the molecular formula of F1691-1985?
The molecular formula of F1691-1985 is C18H13N3O4S2.
What is the molecular weight of F1691-1985?
The molecular weight of F1691-1985 is 399.03 g/mol.
Where can I buy F1691-1985?
You can request a quote for F1691-1985 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1691-1985?
Yes, KEHONG BIO provides custom synthesis services for F1691-1985 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.