F3077-1161
TL;DR: F3077-1161 (CAS 786676-98-0) is a chemical compound with molecular formula C20H14Cl2FN3O2S and molecular weight 449.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-2-cyano-2-[5-[(3,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-methylacetamide
Also Known As: F3077-1161, (Z)-2-cyano-2-(5-(3,4-dichlorobenzyl)-3-(4-fluorophenyl)-4-oxothiazolidin-2-ylidene)-N-methylacetamide, 2-CYANO-2-[(2Z)-5-[(3,4-DICHLOROPHENYL)METHYL]-3-(4-FLUOROPHENYL)-4-OXO-1,3-THIAZOLIDIN-2-YLIDENE]-N-METHYLACETAMIDE, (2Z)-2-cyano-2-[5-[(3,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-methylacetamide, (2Z)-2-cyano-2-[5-(3,4-dichlorobenzyl)-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-methylethanamide
| Molecular Formula | C20H14Cl2FN3O2S |
|---|---|
| Molecular Weight | 449.02 g/mol |
| LogP | 4.30478 |
| Topological Polar Surface Area | 73.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 449.01678 |
| Heavy Atoms | 29 |
| Complexity | 1050.6821 |
Chemical Identifiers
| CAS Number | 786676-98-0 |
|---|---|
| SMILES | CNC(=O)/C(=C\1/N(C(=O)C(S1)CC2=CC(=C(C=C2)Cl)Cl)C3=CC=C(C=C3)F)/C#N |
Product Overview
F3077-1161 (CAS 786676-98-0), with molecular formula C20H14Cl2FN3O2S and molecular weight 449.02 g/mol. IUPAC: (2Z)-2-cyano-2-[5-[(3,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-methylacetamide.
Chemical Property Profile of F3077-1161
Property Insights of F3077-1161
The XLogP value of 4.30478 indicates that F3077-1161 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.2 Ų falls within the moderate polarity range, balancing permeability and solubility for F3077-1161. Following Lipinski's Rule of Five, F3077-1161 has 1 hydrogen bond donor(s) and 4 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 F3077-1161?
The CAS number of F3077-1161 is 786676-98-0.
What is the molecular formula of F3077-1161?
The molecular formula of F3077-1161 is C20H14Cl2FN3O2S.
What is the molecular weight of F3077-1161?
The molecular weight of F3077-1161 is 449.02 g/mol.
Where can I buy F3077-1161?
You can request a quote for F3077-1161 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F3077-1161?
Yes, KEHONG BIO provides custom synthesis services for F3077-1161 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.