ChemDiv1_008851
TL;DR: ChemDiv1_008851 (CAS 314260-51-0) is a chemical compound with molecular formula C16H11ClN4OS2 and molecular weight 374.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chlorophenyl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide
Also Known As: ChemDiv1_008851, CBKinase1_005567, CBKinase1_017967, AF-399/15031013, BRD-K26732752-001-01-1
| Molecular Formula | C16H11ClN4OS2 |
|---|---|
| Molecular Weight | 374.01 g/mol |
| LogP | 4.3282 |
| Topological Polar Surface Area | 59.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 374.0063 |
| Heavy Atoms | 24 |
| Complexity | 1025.606 |
Chemical Identifiers
| CAS Number | 314260-51-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N3C(=NN=C3SCC(=O)NC4=CC=C(C=C4)Cl)S2 |
Product Overview
ChemDiv1_008851 (CAS 314260-51-0), with molecular formula C16H11ClN4OS2 and molecular weight 374.01 g/mol. IUPAC: N-(4-chlorophenyl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide.
Chemical Property Profile of ChemDiv1_008851
Property Insights of ChemDiv1_008851
The XLogP value of 4.3282 indicates that ChemDiv1_008851 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_008851 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_008851 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_008851?
The CAS number of ChemDiv1_008851 is 314260-51-0.
What is the molecular formula of ChemDiv1_008851?
The molecular formula of ChemDiv1_008851 is C16H11ClN4OS2.
What is the molecular weight of ChemDiv1_008851?
The molecular weight of ChemDiv1_008851 is 374.01 g/mol.
Where can I buy ChemDiv1_008851?
You can request a quote for ChemDiv1_008851 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008851?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008851 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.