BAS 12711333
TL;DR: BAS 12711333 (CAS 878417-81-3) is a chemical compound with molecular formula C12H11N3O3S3 and molecular weight 341.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide
Also Known As: BAS 12711333, N-(1,3-benzodioxol-5-yl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide, N-(1,3-benzodioxol-5-yl)-2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}acetamide, N-(benzo[d][1,3]dioxol-5-yl)-2-((3-(methylthio)-1,2,4-thiadiazol-5-yl)thio)acetamide, N-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-2-(3-methylthio(1,2,4-thiadiazol-5-ylthio ))acetamide
| Molecular Formula | C12H11N3O3S3 |
|---|---|
| Molecular Weight | 341.00 g/mol |
| LogP | 2.7195 |
| Topological Polar Surface Area | 73.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 340.99625 |
| Heavy Atoms | 21 |
| Complexity | 662.1924 |
Chemical Identifiers
| CAS Number | 878417-81-3 |
|---|---|
| SMILES | CSC1=NSC(=N1)SCC(=O)NC2=CC3=C(C=C2)OCO3 |
Product Overview
BAS 12711333 (CAS 878417-81-3), with molecular formula C12H11N3O3S3 and molecular weight 341.00 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide.
Chemical Property Profile of BAS 12711333
Property Insights of BAS 12711333
The XLogP value of 2.7195 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12711333. The TPSA of 73.34 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12711333. Following Lipinski's Rule of Five, BAS 12711333 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 BAS 12711333?
The CAS number of BAS 12711333 is 878417-81-3.
What is the molecular formula of BAS 12711333?
The molecular formula of BAS 12711333 is C12H11N3O3S3.
What is the molecular weight of BAS 12711333?
The molecular weight of BAS 12711333 is 341.00 g/mol.
Where can I buy BAS 12711333?
You can request a quote for BAS 12711333 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12711333?
Yes, KEHONG BIO provides custom synthesis services for BAS 12711333 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.