BAS 06401039
TL;DR: BAS 06401039 (CAS 533919-06-1) is a chemical compound with molecular formula C13H11F3N4O2S2 and molecular weight 376.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
Also Known As: BAS 06401039, 2-((5-acetamido-1,3,4-thiadiazol-2-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide, 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide, F1838-1764, 2-[5-(acetylamino)(1,3,4-thiadiazol-2-ylthio)]-N-[3-(trifluoromethyl)phenyl]ac etamide
| Molecular Formula | C13H11F3N4O2S2 |
|---|---|
| Molecular Weight | 376.03 g/mol |
| LogP | 3.2461 |
| Topological Polar Surface Area | 83.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 376.02756 |
| Heavy Atoms | 24 |
| Complexity | 748.8132 |
Chemical Identifiers
| CAS Number | 533919-06-1 |
|---|---|
| SMILES | CC(=O)NC1=NN=C(S1)SCC(=O)NC2=CC=CC(=C2)C(F)(F)F |
Product Overview
BAS 06401039 (CAS 533919-06-1), with molecular formula C13H11F3N4O2S2 and molecular weight 376.03 g/mol. IUPAC: 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of BAS 06401039
Property Insights of BAS 06401039
The XLogP value of 3.2461 indicates that BAS 06401039 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.98 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 06401039. Following Lipinski's Rule of Five, BAS 06401039 has 2 hydrogen bond donor(s) and 6 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 06401039?
The CAS number of BAS 06401039 is 533919-06-1.
What is the molecular formula of BAS 06401039?
The molecular formula of BAS 06401039 is C13H11F3N4O2S2.
What is the molecular weight of BAS 06401039?
The molecular weight of BAS 06401039 is 376.03 g/mol.
Where can I buy BAS 06401039?
You can request a quote for BAS 06401039 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06401039?
Yes, KEHONG BIO provides custom synthesis services for BAS 06401039 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.