F3077-1067
TL;DR: F3077-1067 (CAS 786677-99-4) is a chemical compound with molecular formula C21H16ClFN2O3S and molecular weight 430.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-2-[5-[(3-chlorophenyl)methyl]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetate
Also Known As: F3077-1067, (Z)-ethyl 2-(5-(3-chlorobenzyl)-3-(4-fluorophenyl)-4-oxothiazolidin-2-ylidene)-2-cyanoacetate, ETHYL 2-[(2Z)-5-[(3-CHLOROPHENYL)METHYL]-3-(4-FLUOROPHENYL)-4-OXO-1,3-THIAZOLIDIN-2-YLIDENE]-2-CYANOACETATE, ethyl (2Z)-2-[5-[(3-chlorophenyl)methyl]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetate, ethyl (2Z)-[5-(3-chlorobenzyl)-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene](cyano)ethanoate
| Molecular Formula | C21H16ClFN2O3S |
|---|---|
| Molecular Weight | 430.06 g/mol |
| LogP | 4.46848 |
| Topological Polar Surface Area | 70.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 430.05542 |
| Heavy Atoms | 29 |
| Complexity | 1017.3314 |
Chemical Identifiers
| CAS Number | 786677-99-4 |
|---|---|
| SMILES | CCOC(=O)/C(=C\1/N(C(=O)C(S1)CC2=CC(=CC=C2)Cl)C3=CC=C(C=C3)F)/C#N |
Product Overview
F3077-1067 (CAS 786677-99-4), with molecular formula C21H16ClFN2O3S and molecular weight 430.06 g/mol. IUPAC: ethyl (2Z)-2-[5-[(3-chlorophenyl)methyl]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetate.
Chemical Property Profile of F3077-1067
Property Insights of F3077-1067
The XLogP value of 4.46848 indicates that F3077-1067 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.4 Ų falls within the moderate polarity range, balancing permeability and solubility for F3077-1067. Following Lipinski's Rule of Five, F3077-1067 has 0 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 F3077-1067?
The CAS number of F3077-1067 is 786677-99-4.
What is the molecular formula of F3077-1067?
The molecular formula of F3077-1067 is C21H16ClFN2O3S.
What is the molecular weight of F3077-1067?
The molecular weight of F3077-1067 is 430.06 g/mol.
Where can I buy F3077-1067?
You can request a quote for F3077-1067 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F3077-1067?
Yes, KEHONG BIO provides custom synthesis services for F3077-1067 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.