ChemDiv3_010287
TL;DR: ChemDiv3_010287 (CAS 847402-67-9) is a chemical compound with molecular formula C18H16N4OS2 and molecular weight 368.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-(2-methylphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one
Also Known As: ChemDiv3_010287, BRD-K75305705-001-01-4, 3-((5-(methylthio)-4-(o-tolyl)-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one, 3-[[4-(2-methylphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one, 3-{[4-(2-methylphenyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2,3-dihydro-1,3-benzothiazol-2-one
| Molecular Formula | C18H16N4OS2 |
|---|---|
| Molecular Weight | 368.08 g/mol |
| LogP | 3.72232 |
| Topological Polar Surface Area | 52.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 368.07657 |
| Heavy Atoms | 25 |
| Complexity | 1109.6674 |
Chemical Identifiers
| CAS Number | 847402-67-9 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(=NN=C2SC)CN3C4=CC=CC=C4SC3=O |
Product Overview
ChemDiv3_010287 (CAS 847402-67-9), with molecular formula C18H16N4OS2 and molecular weight 368.08 g/mol. IUPAC: 3-[[4-(2-methylphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one.
Chemical Property Profile of ChemDiv3_010287
Property Insights of ChemDiv3_010287
The XLogP value of 3.72232 indicates that ChemDiv3_010287 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.71 Ų, ChemDiv3_010287 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_010287 has 0 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 ChemDiv3_010287?
The CAS number of ChemDiv3_010287 is 847402-67-9.
What is the molecular formula of ChemDiv3_010287?
The molecular formula of ChemDiv3_010287 is C18H16N4OS2.
What is the molecular weight of ChemDiv3_010287?
The molecular weight of ChemDiv3_010287 is 368.08 g/mol.
Where can I buy ChemDiv3_010287?
You can request a quote for ChemDiv3_010287 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_010287?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_010287 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.