RefChem:1071701
TL;DR: RefChem:1071701 (CAS 89752-46-5) is a chemical compound with molecular formula C17H13N3O4S2 and molecular weight 387.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(4-hydroxyphenyl)methylidene]-3-[(2-nitroanilino)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 4-Thiazolidinone, 5-((4-hydroxyphenyl)methylene)-3-(((2-nitrophenyl)amino)methyl)-2-thioxo-, 5-((4-Hydroxyphenyl)methylene)-3-(((2-nitrophenyl)amino)methyl)-2-thioxo-4-thiazolidinone, (5E)-5-[(4-hydroxyphenyl)methylidene]-3-[(2-nitroanilino)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one, RefChem:1071701
| Molecular Formula | C17H13N3O4S2 |
|---|---|
| Molecular Weight | 387.03 g/mol |
| LogP | 3.5712 |
| Topological Polar Surface Area | 95.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 387.03476 |
| Heavy Atoms | 26 |
| Complexity | 912.47894 |
Chemical Identifiers
| CAS Number | 89752-46-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)NCN2C(=O)/C(=C\C3=CC=C(C=C3)O)/SC2=S)[N+](=O)[O-] |
Product Overview
RefChem:1071701 (CAS 89752-46-5), with molecular formula C17H13N3O4S2 and molecular weight 387.03 g/mol. IUPAC: (5E)-5-[(4-hydroxyphenyl)methylidene]-3-[(2-nitroanilino)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of RefChem:1071701
Property Insights of RefChem:1071701
The XLogP value of 3.5712 indicates that RefChem:1071701 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.71 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1071701. Following Lipinski's Rule of Five, RefChem:1071701 has 2 hydrogen bond donor(s) and 7 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:1071701?
The CAS number of RefChem:1071701 is 89752-46-5.
What is the molecular formula of RefChem:1071701?
The molecular formula of RefChem:1071701 is C17H13N3O4S2.
What is the molecular weight of RefChem:1071701?
The molecular weight of RefChem:1071701 is 387.03 g/mol.
Where can I buy RefChem:1071701?
You can request a quote for RefChem:1071701 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1071701?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1071701 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.