RefChem:811861
TL;DR: RefChem:811861 (CAS 624726-22-3) is a chemical compound with molecular formula C20H16N4O4S2 and molecular weight 440.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[3-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]diazenyl]-2-hydroxyindol-1-yl]acetate
Also Known As: methyl ((3Z)-3-{[(1,3-benzothiazol-2-ylsulfanyl)acetyl]hydrazono}-2-oxo-2,3-dihydro-1H-indol-1-yl)acetate, Methyl 2-(3-(2-(2-(benzo[d]thiazol-2-ylthio)acetyl)hydrazono)-2-oxoindolin-1-yl)acetate, Methyl 2-[3-[(2-benzothiazol-2-ylsulfanylacetyl)hydrazinylidene]-2-oxo-indol-1-yl]acetate, 649-615-1, Methyl ((3Z)-3-(((1,3-benzothiazol-2-ylsulfanyl)acetyl)hydrazono)-2-oxo-2,3-dihydro-1H-indol-1-YL)acetate
| Molecular Formula | C20H16N4O4S2 |
|---|---|
| Molecular Weight | 440.06 g/mol |
| LogP | 4.5322 |
| Topological Polar Surface Area | 106.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 440.0613 |
| Heavy Atoms | 30 |
| Complexity | 1245.5333 |
Chemical Identifiers
| CAS Number | 624726-22-3 |
|---|---|
| SMILES | COC(=O)CN1C2=CC=CC=C2C(=C1O)N=NC(=O)CSC3=NC4=CC=CC=C4S3 |
Product Overview
RefChem:811861 (CAS 624726-22-3), with molecular formula C20H16N4O4S2 and molecular weight 440.06 g/mol. IUPAC: methyl 2-[3-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]diazenyl]-2-hydroxyindol-1-yl]acetate.
Chemical Property Profile of RefChem:811861
Property Insights of RefChem:811861
The XLogP value of 4.5322 indicates that RefChem:811861 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.14 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:811861. Following Lipinski's Rule of Five, RefChem:811861 has 1 hydrogen bond donor(s) and 8 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:811861?
The CAS number of RefChem:811861 is 624726-22-3.
What is the molecular formula of RefChem:811861?
The molecular formula of RefChem:811861 is C20H16N4O4S2.
What is the molecular weight of RefChem:811861?
The molecular weight of RefChem:811861 is 440.06 g/mol.
Where can I buy RefChem:811861?
You can request a quote for RefChem:811861 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:811861?
Yes, KEHONG BIO provides custom synthesis services for RefChem:811861 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.