![[6-[(5-Acetamido-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] benzoate structure](/static/products/877/877650-51-6.png)
[6-[(5-Acetamido-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] benzoate
TL;DR: [6-[(5-Acetamido-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] benzoate (CAS 877650-51-6) is a chemical compound with molecular formula C17H13N3O5S2 and molecular weight 403.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] benzoate
Also Known As: F2532-0031, [6-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] benzoate, 6-(((5-acetamido-1,3,4-thiadiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl benzoate, 6-{[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-4-oxo-4H-pyran-3-yl benzoate
| Molecular Formula | C17H13N3O5S2 |
|---|---|
| Molecular Weight | 403.03 g/mol |
| LogP | 2.9612 |
| Topological Polar Surface Area | 111.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 403.02966 |
| Heavy Atoms | 27 |
| Complexity | 1016.66327 |
Chemical Identifiers
| CAS Number | 877650-51-6 |
|---|---|
| SMILES | CC(=O)NC1=NN=C(S1)SCC2=CC(=O)C(=CO2)OC(=O)C3=CC=CC=C3 |
Product Overview
[6-[(5-Acetamido-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] benzoate (CAS 877650-51-6), with molecular formula C17H13N3O5S2 and molecular weight 403.03 g/mol. IUPAC: [6-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] benzoate.
Chemical Property Profile of [6-[(5-Acetamido-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] benzoate
Property Insights of [6-[(5-Acetamido-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] benzoate
The XLogP value of 2.9612 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [6-[(5-Acetamido-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] benzoate. The TPSA of 111.39 Ų falls within the moderate polarity range, balancing permeability and solubility for [6-[(5-Acetamido-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] benzoate. Following Lipinski's Rule of Five, [6-[(5-Acetamido-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] benzoate has 1 hydrogen bond donor(s) and 9 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-[(5-Acetamido-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] benzoate?
The CAS number of [6-[(5-Acetamido-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] benzoate is 877650-51-6.
What is the molecular formula of [6-[(5-Acetamido-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] benzoate?
The molecular formula of [6-[(5-Acetamido-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] benzoate is C17H13N3O5S2.
What is the molecular weight of [6-[(5-Acetamido-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] benzoate?
The molecular weight of [6-[(5-Acetamido-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] benzoate is 403.03 g/mol.
Where can I buy [6-[(5-Acetamido-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] benzoate?
You can request a quote for [6-[(5-Acetamido-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [6-[(5-Acetamido-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] benzoate?
Yes, KEHONG BIO provides custom synthesis services for [6-[(5-Acetamido-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.