F3077-1116
TL;DR: F3077-1116 (CAS 786676-72-0) is a chemical compound with molecular formula C19H13ClFN3O2S and molecular weight 401.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-2-[5-[(3-chlorophenyl)methyl]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetamide
Also Known As: F3077-1116, (Z)-2-(5-(3-chlorobenzyl)-3-(4-fluorophenyl)-4-oxothiazolidin-2-ylidene)-2-cyanoacetamide, (2Z)-2-[5-[(3-chlorophenyl)methyl]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetamide, 2-[(2Z)-5-[(3-CHLOROPHENYL)METHYL]-3-(4-FLUOROPHENYL)-4-OXO-1,3-THIAZOLIDIN-2-YLIDENE]-2-CYANOACETAMIDE, (2Z)-2-[5-(3-chlorobenzyl)-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoethanamide
| Molecular Formula | C19H13ClFN3O2S |
|---|---|
| Molecular Weight | 401.04 g/mol |
| LogP | 3.39068 |
| Topological Polar Surface Area | 87.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 401.0401 |
| Heavy Atoms | 27 |
| Complexity | 985.19446 |
Chemical Identifiers
| CAS Number | 786676-72-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)CC2C(=O)N(/C(=C(\C#N)/C(=O)N)/S2)C3=CC=C(C=C3)F |
Product Overview
F3077-1116 (CAS 786676-72-0), with molecular formula C19H13ClFN3O2S and molecular weight 401.04 g/mol. IUPAC: (2Z)-2-[5-[(3-chlorophenyl)methyl]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetamide.
Chemical Property Profile of F3077-1116
Property Insights of F3077-1116
The XLogP value of 3.39068 indicates that F3077-1116 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.19 Ų falls within the moderate polarity range, balancing permeability and solubility for F3077-1116. Following Lipinski's Rule of Five, F3077-1116 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 F3077-1116?
The CAS number of F3077-1116 is 786676-72-0.
What is the molecular formula of F3077-1116?
The molecular formula of F3077-1116 is C19H13ClFN3O2S.
What is the molecular weight of F3077-1116?
The molecular weight of F3077-1116 is 401.04 g/mol.
Where can I buy F3077-1116?
You can request a quote for F3077-1116 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F3077-1116?
Yes, KEHONG BIO provides custom synthesis services for F3077-1116 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.