N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide
TL;DR: N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide (CAS 476465-39-1) is a chemical compound with molecular formula C18H13N3O4S2 and molecular weight 399.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide
Also Known As: F0529-0635, N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide, N-{5-[(2-OXO-2-PHENYLETHYL)SULFANYL]-1,3,4-THIADIAZOL-2-YL}-2H-1,3-BENZODIOXOLE-5-CARBOXAMIDE, N-{5-[(2-oxo-2-phenylethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-1,3-benzodioxole-5-carboxamide, 2H-benzo[3,4-d]1,3-dioxolan-5-yl-N-[5-(2-oxo-2-phenylethylthio)(1,3,4-thiadiaz ol-2-yl)]carboxamide
| Molecular Formula | C18H13N3O4S2 |
|---|---|
| Molecular Weight | 399.03 g/mol |
| LogP | 3.4941 |
| Topological Polar Surface Area | 90.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 399.03476 |
| Heavy Atoms | 27 |
| Complexity | 991.2816 |
Chemical Identifiers
| CAS Number | 476465-39-1 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(=O)NC3=NN=C(S3)SCC(=O)C4=CC=CC=C4 |
Product Overview
N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide (CAS 476465-39-1), with molecular formula C18H13N3O4S2 and molecular weight 399.03 g/mol. IUPAC: N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide.
Chemical Property Profile of N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide
Property Insights of N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide
The XLogP value of 3.4941 indicates that N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.41 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide. Following Lipinski's Rule of Five, N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide 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 N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide?
The CAS number of N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide is 476465-39-1.
What is the molecular formula of N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide?
The molecular formula of N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide is C18H13N3O4S2.
What is the molecular weight of N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide?
The molecular weight of N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide is 399.03 g/mol.
Where can I buy N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide?
You can request a quote for N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-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-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.