F3077-1006
TL;DR: F3077-1006 (CAS 853890-68-3) is a chemical compound with molecular formula C16H15ClN2O2S and molecular weight 334.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-2-[5-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-4-methyl-3-oxopentanenitrile
Also Known As: F3077-1006, (Z)-2-(5-(4-chlorobenzyl)-4-oxothiazolidin-2-ylidene)-4-methyl-3-oxopentanenitrile, 2-[(2Z)-5-[(4-CHLOROPHENYL)METHYL]-4-OXO-1,3-THIAZOLIDIN-2-YLIDENE]-4-METHYL-3-OXOPENTANENITRILE, (2Z)-2-[5-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-4-methyl-3-oxopentanenitrile, (2Z)-2-[5-(4-chlorobenzyl)-4-oxo-1,3-thiazolidin-2-ylidene]-4-methyl-3-oxopentanenitrile
| Molecular Formula | C16H15ClN2O2S |
|---|---|
| Molecular Weight | 334.05 g/mol |
| LogP | 3.07438 |
| Topological Polar Surface Area | 69.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 334.0543 |
| Heavy Atoms | 22 |
| Complexity | 674.38135 |
Chemical Identifiers
| CAS Number | 853890-68-3 |
|---|---|
| SMILES | CC(C)C(=O)/C(=C\1/NC(=O)C(S1)CC2=CC=C(C=C2)Cl)/C#N |
Product Overview
F3077-1006 (CAS 853890-68-3), with molecular formula C16H15ClN2O2S and molecular weight 334.05 g/mol. IUPAC: (2Z)-2-[5-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-4-methyl-3-oxopentanenitrile.
Chemical Property Profile of F3077-1006
Property Insights of F3077-1006
The XLogP value of 3.07438 indicates that F3077-1006 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.96 Ų falls within the moderate polarity range, balancing permeability and solubility for F3077-1006. Following Lipinski's Rule of Five, F3077-1006 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 F3077-1006?
The CAS number of F3077-1006 is 853890-68-3.
What is the molecular formula of F3077-1006?
The molecular formula of F3077-1006 is C16H15ClN2O2S.
What is the molecular weight of F3077-1006?
The molecular weight of F3077-1006 is 334.05 g/mol.
Where can I buy F3077-1006?
You can request a quote for F3077-1006 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F3077-1006?
Yes, KEHONG BIO provides custom synthesis services for F3077-1006 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.