A2596/0110419
TL;DR: A2596/0110419 (CAS 399008-58-3) is a chemical compound with molecular formula C16H10ClF3N2O2S2 and molecular weight 417.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
Also Known As: A2596/0110419, 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide, 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-N-[4-(trifluoromethoxy)phenyl]acetamide
| Molecular Formula | C16H10ClF3N2O2S2 |
|---|---|
| Molecular Weight | 417.98 g/mol |
| LogP | 5.5791 |
| Topological Polar Surface Area | 51.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 417.98242 |
| Heavy Atoms | 26 |
| Complexity | 929.3847 |
Chemical Identifiers
| CAS Number | 399008-58-3 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)CSC2=NC3=C(S2)C=CC(=C3)Cl)OC(F)(F)F |
Product Overview
A2596/0110419 (CAS 399008-58-3), with molecular formula C16H10ClF3N2O2S2 and molecular weight 417.98 g/mol. IUPAC: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide.
Chemical Property Profile of A2596/0110419
Property Insights of A2596/0110419
The XLogP value of 5.5791 indicates that A2596/0110419 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.22 Ų, A2596/0110419 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A2596/0110419 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A2596/0110419?
The CAS number of A2596/0110419 is 399008-58-3.
What is the molecular formula of A2596/0110419?
The molecular formula of A2596/0110419 is C16H10ClF3N2O2S2.
What is the molecular weight of A2596/0110419?
The molecular weight of A2596/0110419 is 417.98 g/mol.
Where can I buy A2596/0110419?
You can request a quote for A2596/0110419 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2596/0110419?
Yes, KEHONG BIO provides custom synthesis services for A2596/0110419 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.