![6-bromo-N-[(2Z)-5-(methylsulfanyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxo-4H-chromene-2-carboxamide structure](/static/products/892/892633-86-2.png)
6-bromo-N-[(2Z)-5-(methylsulfanyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxo-4H-chromene-2-carboxamide
TL;DR: 6-bromo-N-[(2Z)-5-(methylsulfanyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxo-4H-chromene-2-carboxamide (CAS 892633-86-2) is a chemical compound with molecular formula C13H8BrN3O3S2 and molecular weight 396.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide
Also Known As: 6-bromo-N-[(2Z)-5-(methylsulfanyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxo-4H-chromene-2-carboxamide, 6-bromo-N-(5-(methylthio)-1,3,4-thiadiazol-2-yl)-4-oxo-4H-chromene-2-carboxamide, 6-bromo-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide, 6-bromo-N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-oxo-4H-chromene-2-carboxamide
| Molecular Formula | C13H8BrN3O3S2 |
|---|---|
| Molecular Weight | 396.92 g/mol |
| LogP | 3.3812 |
| Topological Polar Surface Area | 85.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 396.91904 |
| Heavy Atoms | 22 |
| Complexity | 922.2795 |
Chemical Identifiers
| CAS Number | 892633-86-2 |
|---|---|
| SMILES | CSC1=NN=C(S1)NC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)Br |
Product Overview
6-bromo-N-[(2Z)-5-(methylsulfanyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxo-4H-chromene-2-carboxamide (CAS 892633-86-2), with molecular formula C13H8BrN3O3S2 and molecular weight 396.92 g/mol. IUPAC: 6-bromo-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide.
Chemical Property Profile of 6-bromo-N-[(2Z)-5-(methylsulfanyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxo-4H-chromene-2-carboxamide
Property Insights of 6-bromo-N-[(2Z)-5-(methylsulfanyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxo-4H-chromene-2-carboxamide
The XLogP value of 3.3812 indicates that 6-bromo-N-[(2Z)-5-(methylsulfanyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxo-4H-chromene-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-bromo-N-[(2Z)-5-(methylsulfanyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxo-4H-chromene-2-carboxamide. Following Lipinski's Rule of Five, 6-bromo-N-[(2Z)-5-(methylsulfanyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxo-4H-chromene-2-carboxamide has 1 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 6-bromo-N-[(2Z)-5-(methylsulfanyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxo-4H-chromene-2-carboxamide?
The CAS number of 6-bromo-N-[(2Z)-5-(methylsulfanyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxo-4H-chromene-2-carboxamide is 892633-86-2.
What is the molecular formula of 6-bromo-N-[(2Z)-5-(methylsulfanyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxo-4H-chromene-2-carboxamide?
The molecular formula of 6-bromo-N-[(2Z)-5-(methylsulfanyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxo-4H-chromene-2-carboxamide is C13H8BrN3O3S2.
What is the molecular weight of 6-bromo-N-[(2Z)-5-(methylsulfanyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxo-4H-chromene-2-carboxamide?
The molecular weight of 6-bromo-N-[(2Z)-5-(methylsulfanyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxo-4H-chromene-2-carboxamide is 396.92 g/mol.
Where can I buy 6-bromo-N-[(2Z)-5-(methylsulfanyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxo-4H-chromene-2-carboxamide?
You can request a quote for 6-bromo-N-[(2Z)-5-(methylsulfanyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxo-4H-chromene-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-bromo-N-[(2Z)-5-(methylsulfanyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxo-4H-chromene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 6-bromo-N-[(2Z)-5-(methylsulfanyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxo-4H-chromene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.