![N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({5-[(4-methoxybenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetamide structure](/static/products/4991/499103-68-3.webp)
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({5-[(4-methoxybenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetamide
TL;DR: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({5-[(4-methoxybenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetamide (CAS 499103-68-3) is a chemical compound with molecular formula C20H19N3O4S3 and molecular weight 461.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
Also Known As: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({5-[(4-methoxybenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetamide, N-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-2-((5-((4-methoxybenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetamide, 638-436-4, N-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-2-((5-((4-METHOXYBENZYL)SULFANYL)-1,3,4-THIADIAZOL-2-YL)SULFANYL)ACETAMIDE, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-{[(4-methoxyphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
| Molecular Formula | C20H19N3O4S3 |
|---|---|
| Molecular Weight | 461.05 g/mol |
| LogP | 4.341 |
| Topological Polar Surface Area | 82.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 461.05377 |
| Heavy Atoms | 30 |
| Complexity | 1010.7862 |
Chemical Identifiers
| CAS Number | 499103-68-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CSC2=NN=C(S2)SCC(=O)NC3=CC4=C(C=C3)OCCO4 |
Product Overview
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({5-[(4-methoxybenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetamide (CAS 499103-68-3), with molecular formula C20H19N3O4S3 and molecular weight 461.05 g/mol. IUPAC: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.
Chemical Property Profile of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({5-[(4-methoxybenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetamide
Property Insights of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({5-[(4-methoxybenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetamide
The XLogP value of 4.341 indicates that N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({5-[(4-methoxybenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.57 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({5-[(4-methoxybenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetamide. Following Lipinski's Rule of Five, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({5-[(4-methoxybenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetamide 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 N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({5-[(4-methoxybenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetamide?
The CAS number of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({5-[(4-methoxybenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetamide is 499103-68-3.
What is the molecular formula of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({5-[(4-methoxybenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetamide?
The molecular formula of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({5-[(4-methoxybenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetamide is C20H19N3O4S3.
What is the molecular weight of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({5-[(4-methoxybenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetamide?
The molecular weight of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({5-[(4-methoxybenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetamide is 461.05 g/mol.
Where can I buy N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({5-[(4-methoxybenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetamide?
You can request a quote for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({5-[(4-methoxybenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({5-[(4-methoxybenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({5-[(4-methoxybenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.