BAS 04080356
TL;DR: BAS 04080356 (CAS 313704-80-2) is a chemical compound with molecular formula C16H12F3N3OS2 and molecular weight 383.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
Also Known As: BAS 04080356, BIM-0013094.P001, 2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide, A1905/0080041, 2-((6-aminobenzo[d]thiazol-2-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide
| Molecular Formula | C16H12F3N3OS2 |
|---|---|
| Molecular Weight | 383.04 g/mol |
| LogP | 4.6281 |
| Topological Polar Surface Area | 68.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 383.03738 |
| Heavy Atoms | 25 |
| Complexity | 924.3741 |
Chemical Identifiers
| CAS Number | 313704-80-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)N)C(F)(F)F |
Product Overview
BAS 04080356 (CAS 313704-80-2), with molecular formula C16H12F3N3OS2 and molecular weight 383.04 g/mol. IUPAC: 2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of BAS 04080356
Property Insights of BAS 04080356
The XLogP value of 4.6281 indicates that BAS 04080356 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.01 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04080356. Following Lipinski's Rule of Five, BAS 04080356 has 2 hydrogen bond donor(s) and 5 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 04080356?
The CAS number of BAS 04080356 is 313704-80-2.
What is the molecular formula of BAS 04080356?
The molecular formula of BAS 04080356 is C16H12F3N3OS2.
What is the molecular weight of BAS 04080356?
The molecular weight of BAS 04080356 is 383.04 g/mol.
Where can I buy BAS 04080356?
You can request a quote for BAS 04080356 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04080356?
Yes, KEHONG BIO provides custom synthesis services for BAS 04080356 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.