ChemDiv3_010331
TL;DR: ChemDiv3_010331 (CAS 847403-59-2) is a chemical compound with molecular formula C22H16ClN5OS2 and molecular weight 465.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-(3-chlorophenyl)-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one
Also Known As: ChemDiv3_010331, BRD-K85245245-001-01-7, F0665-0698, 3-{[4-(3-chlorophenyl)-5-{[(pyridin-2-yl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-2,3-dihydro-1,3-benzothiazol-2-one, 3-((4-(3-chlorophenyl)-5-((pyridin-2-ylmethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one
| Molecular Formula | C22H16ClN5OS2 |
|---|---|
| Molecular Weight | 465.05 g/mol |
| LogP | 5.0327 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 465.0485 |
| Heavy Atoms | 31 |
| Complexity | 1410.4841 |
Chemical Identifiers
| CAS Number | 847403-59-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N(C(=O)S2)CC3=NN=C(N3C4=CC(=CC=C4)Cl)SCC5=CC=CC=N5 |
Product Overview
ChemDiv3_010331 (CAS 847403-59-2), with molecular formula C22H16ClN5OS2 and molecular weight 465.05 g/mol. IUPAC: 3-[[4-(3-chlorophenyl)-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one.
Chemical Property Profile of ChemDiv3_010331
Property Insights of ChemDiv3_010331
The XLogP value of 5.0327 indicates that ChemDiv3_010331 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 ChemDiv3_010331. Following Lipinski's Rule of Five, ChemDiv3_010331 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv3_010331?
The CAS number of ChemDiv3_010331 is 847403-59-2.
What is the molecular formula of ChemDiv3_010331?
The molecular formula of ChemDiv3_010331 is C22H16ClN5OS2.
What is the molecular weight of ChemDiv3_010331?
The molecular weight of ChemDiv3_010331 is 465.05 g/mol.
Where can I buy ChemDiv3_010331?
You can request a quote for ChemDiv3_010331 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_010331?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_010331 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.