F1218-0959
TL;DR: F1218-0959 (CAS 956513-90-9) is a chemical compound with molecular formula C20H14N4OS2 and molecular weight 390.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-naphthalen-1-yl-4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyrazol-1-yl]propanenitrile
Also Known As: F1218-0959, (Z)-3-(3-(naphthalen-1-yl)-4-((4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-1H-pyrazol-1-yl)propanenitrile, 3-[3-(naphthalen-1-yl)-4-{[(5Z)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1H-pyrazol-1-yl]propanenitrile, 3-[3-naphthalen-1-yl-4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyrazol-1-yl]propanenitrile, 3-[3-(1-naphthyl)-4-[(Z)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-1-pyrazolyl]propiononitrile
| Molecular Formula | C20H14N4OS2 |
|---|---|
| Molecular Weight | 390.06 g/mol |
| LogP | 4.10578 |
| Topological Polar Surface Area | 70.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 390.0609 |
| Heavy Atoms | 27 |
| Complexity | 1135.0844 |
Chemical Identifiers
| CAS Number | 956513-90-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=C2C3=NN(C=C3/C=C\4/C(=O)NC(=S)S4)CCC#N |
Product Overview
F1218-0959 (CAS 956513-90-9), with molecular formula C20H14N4OS2 and molecular weight 390.06 g/mol. IUPAC: 3-[3-naphthalen-1-yl-4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyrazol-1-yl]propanenitrile.
Chemical Property Profile of F1218-0959
Property Insights of F1218-0959
The XLogP value of 4.10578 indicates that F1218-0959 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.71 Ų falls within the moderate polarity range, balancing permeability and solubility for F1218-0959. Following Lipinski's Rule of Five, F1218-0959 has 1 hydrogen bond donor(s) and 5 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 F1218-0959?
The CAS number of F1218-0959 is 956513-90-9.
What is the molecular formula of F1218-0959?
The molecular formula of F1218-0959 is C20H14N4OS2.
What is the molecular weight of F1218-0959?
The molecular weight of F1218-0959 is 390.06 g/mol.
Where can I buy F1218-0959?
You can request a quote for F1218-0959 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1218-0959?
Yes, KEHONG BIO provides custom synthesis services for F1218-0959 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.