ChemDiv2_006952
TL;DR: ChemDiv2_006952 (CAS 847402-32-8) is a chemical compound with molecular formula C22H17N5OS2 and molecular weight 431.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-phenyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one
Also Known As: ChemDiv2_006952, IDI1_005667, F0665-0226, 3-((4-phenyl-5-((pyridin-2-ylmethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one, 3-[(4-phenyl-5-{[(pyridin-2-yl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1,3-benzothiazol-2-one
| Molecular Formula | C22H17N5OS2 |
|---|---|
| Molecular Weight | 431.09 g/mol |
| LogP | 4.3793 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 431.08746 |
| Heavy Atoms | 30 |
| Complexity | 1342.5009 |
Chemical Identifiers
| CAS Number | 847402-32-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=N3)CN4C5=CC=CC=C5SC4=O |
Product Overview
ChemDiv2_006952 (CAS 847402-32-8), with molecular formula C22H17N5OS2 and molecular weight 431.09 g/mol. IUPAC: 3-[[4-phenyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one.
Chemical Property Profile of ChemDiv2_006952
Property Insights of ChemDiv2_006952
The XLogP value of 4.3793 indicates that ChemDiv2_006952 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_006952. Following Lipinski's Rule of Five, ChemDiv2_006952 has 0 hydrogen bond donor(s) and 6 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 ChemDiv2_006952?
The CAS number of ChemDiv2_006952 is 847402-32-8.
What is the molecular formula of ChemDiv2_006952?
The molecular formula of ChemDiv2_006952 is C22H17N5OS2.
What is the molecular weight of ChemDiv2_006952?
The molecular weight of ChemDiv2_006952 is 431.09 g/mol.
Where can I buy ChemDiv2_006952?
You can request a quote for ChemDiv2_006952 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_006952?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_006952 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.