RefChem:1071678
TL;DR: RefChem:1071678 (CAS 86650-18-2) is a chemical compound with molecular formula C18H21N3OS2 and molecular weight 359.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-3-[(4-methylpiperazin-1-yl)methyl]-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 3-((4-Methyl-1-piperazinyl)methyl)-5-(3-phenyl-2-propenylidene)-2-thioxo-4-thiazolidinone, 4-Thiazolidinone, 3-((4-methyl-1-piperazinyl)methyl)-5-(3-phenyl-2-propenylidene)-2-thioxo-, (5E)-3-[(4-methylpiperazin-1-yl)methyl]-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, RefChem:1071678
| Molecular Formula | C18H21N3OS2 |
|---|---|
| Molecular Weight | 359.11 g/mol |
| LogP | 2.6489 |
| Topological Polar Surface Area | 26.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 359.1126 |
| Heavy Atoms | 24 |
| Complexity | 664.10126 |
Chemical Identifiers
| CAS Number | 86650-18-2 |
|---|---|
| SMILES | CN1CCN(CC1)CN2C(=O)/C(=C\C=C\C3=CC=CC=C3)/SC2=S |
Product Overview
RefChem:1071678 (CAS 86650-18-2), with molecular formula C18H21N3OS2 and molecular weight 359.11 g/mol. IUPAC: (5E)-3-[(4-methylpiperazin-1-yl)methyl]-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of RefChem:1071678
Property Insights of RefChem:1071678
The XLogP value of 2.6489 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1071678. With a topological polar surface area (TPSA) of 26.79 Ų, RefChem:1071678 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1071678 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 RefChem:1071678?
The CAS number of RefChem:1071678 is 86650-18-2.
What is the molecular formula of RefChem:1071678?
The molecular formula of RefChem:1071678 is C18H21N3OS2.
What is the molecular weight of RefChem:1071678?
The molecular weight of RefChem:1071678 is 359.11 g/mol.
Where can I buy RefChem:1071678?
You can request a quote for RefChem:1071678 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1071678?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1071678 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.