ChemDiv1_008716
TL;DR: ChemDiv1_008716 (CAS 314261-18-2) is a chemical compound with molecular formula C17H10ClF3N4OS2 and molecular weight 441.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide
Also Known As: ChemDiv1_008716, AB00716208-01, AF-399/15031060, N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{7-thia-2,4,5-triazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5,9,11-pentaen-3-ylsulfanyl}acetamide, F0863-0626
| Molecular Formula | C17H10ClF3N4OS2 |
|---|---|
| Molecular Weight | 441.99 g/mol |
| LogP | 5.347 |
| Topological Polar Surface Area | 59.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 441.99365 |
| Heavy Atoms | 28 |
| Complexity | 1188.2905 |
Chemical Identifiers
| CAS Number | 314261-18-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N3C(=NN=C3SCC(=O)NC4=C(C=CC(=C4)C(F)(F)F)Cl)S2 |
Product Overview
ChemDiv1_008716 (CAS 314261-18-2), with molecular formula C17H10ClF3N4OS2 and molecular weight 441.99 g/mol. IUPAC: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide.
Chemical Property Profile of ChemDiv1_008716
Property Insights of ChemDiv1_008716
The XLogP value of 5.347 indicates that ChemDiv1_008716 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.29 Ų, ChemDiv1_008716 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_008716 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 ChemDiv1_008716?
The CAS number of ChemDiv1_008716 is 314261-18-2.
What is the molecular formula of ChemDiv1_008716?
The molecular formula of ChemDiv1_008716 is C17H10ClF3N4OS2.
What is the molecular weight of ChemDiv1_008716?
The molecular weight of ChemDiv1_008716 is 441.99 g/mol.
Where can I buy ChemDiv1_008716?
You can request a quote for ChemDiv1_008716 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008716?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008716 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.