BAS 12409836
TL;DR: BAS 12409836 (CAS 876895-62-4) is a chemical compound with molecular formula C14H13N5OS5 and molecular weight 426.97 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-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide
Also Known As: BAS 12409836, N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}acetamide, N-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-2-((3-(methylthio)-1,2,4-thiadiazol-5-yl)thio)acetamide, N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide, N-[(2Z)-5-(benzylsulfanyl)-1,3,4-thiadiazol-2(3H)-ylidene]-2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}acetamide
| Molecular Formula | C14H13N5OS5 |
|---|---|
| Molecular Weight | 426.97 g/mol |
| LogP | 4.1346 |
| Topological Polar Surface Area | 80.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 426.97235 |
| Heavy Atoms | 25 |
| Complexity | 821.89905 |
Chemical Identifiers
| CAS Number | 876895-62-4 |
|---|---|
| SMILES | CSC1=NSC(=N1)SCC(=O)NC2=NN=C(S2)SCC3=CC=CC=C3 |
Product Overview
BAS 12409836 (CAS 876895-62-4), with molecular formula C14H13N5OS5 and molecular weight 426.97 g/mol. IUPAC: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide.
Chemical Property Profile of BAS 12409836
Property Insights of BAS 12409836
The XLogP value of 4.1346 indicates that BAS 12409836 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.66 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12409836. Following Lipinski's Rule of Five, BAS 12409836 has 1 hydrogen bond donor(s) and 10 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 12409836?
The CAS number of BAS 12409836 is 876895-62-4.
What is the molecular formula of BAS 12409836?
The molecular formula of BAS 12409836 is C14H13N5OS5.
What is the molecular weight of BAS 12409836?
The molecular weight of BAS 12409836 is 426.97 g/mol.
Where can I buy BAS 12409836?
You can request a quote for BAS 12409836 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12409836?
Yes, KEHONG BIO provides custom synthesis services for BAS 12409836 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.