ChemDiv1_008672
TL;DR: ChemDiv1_008672 (CAS 314261-52-4) is a chemical compound with molecular formula C16H11FN4OS2 and molecular weight 358.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-fluorophenyl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide
Also Known As: ChemDiv1_008672, UPCMLD0ENAT0508-2504:001, AF-399/15031084, F0863-0617, 2-(benzo[4,5]thiazolo[2,3-c][1,2,4]triazol-3-ylthio)-N-(2-fluorophenyl)acetamide
| Molecular Formula | C16H11FN4OS2 |
|---|---|
| Molecular Weight | 358.04 g/mol |
| LogP | 3.8139 |
| Topological Polar Surface Area | 59.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 358.03583 |
| Heavy Atoms | 24 |
| Complexity | 1042.856 |
Chemical Identifiers
| CAS Number | 314261-52-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)NC(=O)CSC2=NN=C3N2C4=CC=CC=C4S3)F |
Product Overview
ChemDiv1_008672 (CAS 314261-52-4), with molecular formula C16H11FN4OS2 and molecular weight 358.04 g/mol. IUPAC: N-(2-fluorophenyl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide.
Chemical Property Profile of ChemDiv1_008672
Property Insights of ChemDiv1_008672
The XLogP value of 3.8139 indicates that ChemDiv1_008672 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_008672 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_008672 has 1 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 ChemDiv1_008672?
The CAS number of ChemDiv1_008672 is 314261-52-4.
What is the molecular formula of ChemDiv1_008672?
The molecular formula of ChemDiv1_008672 is C16H11FN4OS2.
What is the molecular weight of ChemDiv1_008672?
The molecular weight of ChemDiv1_008672 is 358.04 g/mol.
Where can I buy ChemDiv1_008672?
You can request a quote for ChemDiv1_008672 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008672?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008672 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.