![N-[5-(2-methoxyethylthio)-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide structure](/static/products/825/825598-48-9.png)
N-[5-(2-methoxyethylthio)-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide
TL;DR: N-[5-(2-methoxyethylthio)-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide (CAS 825598-48-9) is a chemical compound with molecular formula C13H13N3O4S2 and molecular weight 339.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide
Also Known As: N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide, N-[5-(2-methoxyethylthio)-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide, N-{5-[(2-methoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-1,3-benzodioxole-5-carboxamide, N-{5-[(2-methoxyethyl)thio]-1,3,4-thiadiazol-2-yl}-1,3-benzodioxole-5-carboxamide, 2H-benzo[3,4-d]1,3-dioxolen-5-yl-N-[5-(2-methoxyethylthio)(1,3,4-thiadiazol-2- yl)]carboxamide
| Molecular Formula | C13H13N3O4S2 |
|---|---|
| Molecular Weight | 339.03 g/mol |
| LogP | 2.2576 |
| Topological Polar Surface Area | 82.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 339.03476 |
| Heavy Atoms | 22 |
| Complexity | 677.0549 |
Chemical Identifiers
| CAS Number | 825598-48-9 |
|---|---|
| SMILES | COCCSC1=NN=C(S1)NC(=O)C2=CC3=C(C=C2)OCO3 |
Product Overview
N-[5-(2-methoxyethylthio)-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide (CAS 825598-48-9), with molecular formula C13H13N3O4S2 and molecular weight 339.03 g/mol. IUPAC: N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide.
Chemical Property Profile of N-[5-(2-methoxyethylthio)-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide
Property Insights of N-[5-(2-methoxyethylthio)-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide
The XLogP value of 2.2576 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[5-(2-methoxyethylthio)-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide. The TPSA of 82.57 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[5-(2-methoxyethylthio)-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide. Following Lipinski's Rule of Five, N-[5-(2-methoxyethylthio)-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-(2-methoxyethylthio)-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide?
The CAS number of N-[5-(2-methoxyethylthio)-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide is 825598-48-9.
What is the molecular formula of N-[5-(2-methoxyethylthio)-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide?
The molecular formula of N-[5-(2-methoxyethylthio)-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide is C13H13N3O4S2.
What is the molecular weight of N-[5-(2-methoxyethylthio)-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide?
The molecular weight of N-[5-(2-methoxyethylthio)-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide is 339.03 g/mol.
Where can I buy N-[5-(2-methoxyethylthio)-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide?
You can request a quote for N-[5-(2-methoxyethylthio)-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-(2-methoxyethylthio)-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[5-(2-methoxyethylthio)-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.