RefChem:1075600
TL;DR: RefChem:1075600 (CAS 139298-33-2) is a chemical compound with molecular formula C20H17N3O3S2 and molecular weight 411.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-[(Z)-1-phenylethylideneamino]acetamide
Also Known As: Acetic acid, (4-((4-oxo-2-thioxo-5-thiazolidinylidene)methyl)phenoxy)-, (1-phenylethylidene)hydrazide, RefChem:1075600
| Molecular Formula | C20H17N3O3S2 |
|---|---|
| Molecular Weight | 411.07 g/mol |
| LogP | 3.0946 |
| Topological Polar Surface Area | 79.79 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 411.07114 |
| Heavy Atoms | 28 |
| Complexity | 954.421 |
Chemical Identifiers
| CAS Number | 139298-33-2 |
|---|---|
| SMILES | C/C(=N/NC(=O)COC1=CC=C(C=C1)/C=C/2\C(=O)NC(=S)S2)/C3=CC=CC=C3 |
Product Overview
RefChem:1075600 (CAS 139298-33-2), with molecular formula C20H17N3O3S2 and molecular weight 411.07 g/mol. IUPAC: 2-[4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-[(Z)-1-phenylethylideneamino]acetamide.
Chemical Property Profile of RefChem:1075600
Property Insights of RefChem:1075600
The XLogP value of 3.0946 indicates that RefChem:1075600 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.79 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1075600. Following Lipinski's Rule of Five, RefChem:1075600 has 2 hydrogen bond donor(s) and 6 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:1075600?
The CAS number of RefChem:1075600 is 139298-33-2.
What is the molecular formula of RefChem:1075600?
The molecular formula of RefChem:1075600 is C20H17N3O3S2.
What is the molecular weight of RefChem:1075600?
The molecular weight of RefChem:1075600 is 411.07 g/mol.
Where can I buy RefChem:1075600?
You can request a quote for RefChem:1075600 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1075600?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1075600 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.