N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
TL;DR: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CAS 890601-79-3) is a chemical compound with molecular formula C19H17N3O3S2 and molecular weight 399.07 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)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Also Known As: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide, (3-methyl(2H,3H-benzo[e]1,4-dioxan-2-yl))-N-[5-(phenylmethylthio)(1,3,4-thiadi azol-2-yl)]carboxamide, N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide
| Molecular Formula | C19H17N3O3S2 |
|---|---|
| Molecular Weight | 399.07 g/mol |
| LogP | 3.9974 |
| Topological Polar Surface Area | 73.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 399.07114 |
| Heavy Atoms | 27 |
| Complexity | 932.714 |
Chemical Identifiers
| CAS Number | 890601-79-3 |
|---|---|
| SMILES | CC1C(OC2=CC=CC=C2O1)C(=O)NC3=NN=C(S3)SCC4=CC=CC=C4 |
Product Overview
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CAS 890601-79-3), with molecular formula C19H17N3O3S2 and molecular weight 399.07 g/mol. IUPAC: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
Chemical Property Profile of N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Property Insights of N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
The XLogP value of 3.9974 indicates that N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.34 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide. Following Lipinski's Rule of Five, N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-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 N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The CAS number of N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide is 890601-79-3.
What is the molecular formula of N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The molecular formula of N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide is C19H17N3O3S2.
What is the molecular weight of N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The molecular weight of N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide is 399.07 g/mol.
Where can I buy N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
You can request a quote for N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-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)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.