![N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-6-chloro-7-methyl-4-oxo-4H-chromene-2-carboxamide structure](/static/products/873/873080-76-3.png)
N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-6-chloro-7-methyl-4-oxo-4H-chromene-2-carboxamide
TL;DR: N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-6-chloro-7-methyl-4-oxo-4H-chromene-2-carboxamide (CAS 873080-76-3) is a chemical compound with molecular formula C20H14ClN3O3S2 and molecular weight 443.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-6-chloro-7-methyl-4-oxochromene-2-carboxamide
Also Known As: N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-6-chloro-7-methyl-4-oxo-4H-chromene-2-carboxamide, N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-6-chloro-7-methyl-4-oxo-chromene-2-carboxamide, N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-6-chloro-7-methyl-4-oxochromene-2-carboxamide, N-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-6-chloro-7-methyl-4-oxo-4H-chromene-2-carboxamide, N-[(2Z)-5-(benzylsulfanyl)-1,3,4-thiadiazol-2(3H)-ylidene]-6-chloro-7-methyl-4-oxo-4H-chromene-2-carboxamide
| Molecular Formula | C20H14ClN3O3S2 |
|---|---|
| Molecular Weight | 443.02 g/mol |
| LogP | 5.15092 |
| Topological Polar Surface Area | 85.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 443.0165 |
| Heavy Atoms | 29 |
| Complexity | 1255.054 |
Chemical Identifiers
| CAS Number | 873080-76-3 |
|---|---|
| SMILES | CC1=CC2=C(C=C1Cl)C(=O)C=C(O2)C(=O)NC3=NN=C(S3)SCC4=CC=CC=C4 |
Product Overview
N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-6-chloro-7-methyl-4-oxo-4H-chromene-2-carboxamide (CAS 873080-76-3), with molecular formula C20H14ClN3O3S2 and molecular weight 443.02 g/mol. IUPAC: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-6-chloro-7-methyl-4-oxochromene-2-carboxamide.
Chemical Property Profile of N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-6-chloro-7-methyl-4-oxo-4H-chromene-2-carboxamide
Property Insights of N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-6-chloro-7-methyl-4-oxo-4H-chromene-2-carboxamide
The XLogP value of 5.15092 indicates that N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-6-chloro-7-methyl-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 N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-6-chloro-7-methyl-4-oxo-4H-chromene-2-carboxamide. Following Lipinski's Rule of Five, N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-6-chloro-7-methyl-4-oxo-4H-chromene-2-carboxamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-6-chloro-7-methyl-4-oxo-4H-chromene-2-carboxamide?
The CAS number of N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-6-chloro-7-methyl-4-oxo-4H-chromene-2-carboxamide is 873080-76-3.
What is the molecular formula of N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-6-chloro-7-methyl-4-oxo-4H-chromene-2-carboxamide?
The molecular formula of N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-6-chloro-7-methyl-4-oxo-4H-chromene-2-carboxamide is C20H14ClN3O3S2.
What is the molecular weight of N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-6-chloro-7-methyl-4-oxo-4H-chromene-2-carboxamide?
The molecular weight of N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-6-chloro-7-methyl-4-oxo-4H-chromene-2-carboxamide is 443.02 g/mol.
Where can I buy N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-6-chloro-7-methyl-4-oxo-4H-chromene-2-carboxamide?
You can request a quote for N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-6-chloro-7-methyl-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 N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-6-chloro-7-methyl-4-oxo-4H-chromene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-6-chloro-7-methyl-4-oxo-4H-chromene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.