RefChem:1079091
TL;DR: RefChem:1079091 (CAS 89752-55-6) is a chemical compound with molecular formula C19H16N2O5S2 and molecular weight 416.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]methylamino]benzoic acid
Also Known As: Benzoic acid, 4-(((5-((4-hydroxy-3-methoxyphenyl)methylene)-4-oxo-2-thioxo-3-thiazolidinyl)methyl)amino)-, BENZOIC ACID, 4-(((5-((4-HYDROXY-3-METHOXYPHENYL)METHYLENE)-4-OXO-2-THIOXO-3-THI, 4-[[(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]methylamino]benzoic acid, RefChem:1079091
| Molecular Formula | C19H16N2O5S2 |
|---|---|
| Molecular Weight | 416.05 g/mol |
| LogP | 3.3698 |
| Topological Polar Surface Area | 99.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 416.05005 |
| Heavy Atoms | 28 |
| Complexity | 972.7893 |
Chemical Identifiers
| CAS Number | 89752-55-6 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=S)S2)CNC3=CC=C(C=C3)C(=O)O)O |
Product Overview
RefChem:1079091 (CAS 89752-55-6), with molecular formula C19H16N2O5S2 and molecular weight 416.05 g/mol. IUPAC: 4-[[(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]methylamino]benzoic acid.
Chemical Property Profile of RefChem:1079091
Property Insights of RefChem:1079091
The XLogP value of 3.3698 indicates that RefChem:1079091 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1079091. Following Lipinski's Rule of Five, RefChem:1079091 has 3 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:1079091?
The CAS number of RefChem:1079091 is 89752-55-6.
What is the molecular formula of RefChem:1079091?
The molecular formula of RefChem:1079091 is C19H16N2O5S2.
What is the molecular weight of RefChem:1079091?
The molecular weight of RefChem:1079091 is 416.05 g/mol.
Where can I buy RefChem:1079091?
You can request a quote for RefChem:1079091 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1079091?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1079091 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.