AB00433168-05
TL;DR: AB00433168-05 (CAS 847400-79-7) is a chemical compound with molecular formula C19H18N4OS2 and molecular weight 382.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-methyl-5-(1-phenylethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one
Also Known As: AB00433168-05, F0665-0089, 3-((4-methyl-5-((1-phenylethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one, 3-({4-methyl-5-[(1-phenylethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)-2,3-dihydro-1,3-benzothiazol-2-one, 3-[[4-methyl-5-(1-phenylethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one
| Molecular Formula | C19H18N4OS2 |
|---|---|
| Molecular Weight | 382.09 g/mol |
| LogP | 4.0931 |
| Topological Polar Surface Area | 52.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 382.0922 |
| Heavy Atoms | 26 |
| Complexity | 1097.6353 |
Chemical Identifiers
| CAS Number | 847400-79-7 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)SC2=NN=C(N2C)CN3C4=CC=CC=C4SC3=O |
Product Overview
AB00433168-05 (CAS 847400-79-7), with molecular formula C19H18N4OS2 and molecular weight 382.09 g/mol. IUPAC: 3-[[4-methyl-5-(1-phenylethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one.
Chemical Property Profile of AB00433168-05
Property Insights of AB00433168-05
The XLogP value of 4.0931 indicates that AB00433168-05 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.71 Ų, AB00433168-05 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00433168-05 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 AB00433168-05?
The CAS number of AB00433168-05 is 847400-79-7.
What is the molecular formula of AB00433168-05?
The molecular formula of AB00433168-05 is C19H18N4OS2.
What is the molecular weight of AB00433168-05?
The molecular weight of AB00433168-05 is 382.09 g/mol.
Where can I buy AB00433168-05?
You can request a quote for AB00433168-05 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00433168-05?
Yes, KEHONG BIO provides custom synthesis services for AB00433168-05 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.