AB00411852-03
TL;DR: AB00411852-03 (CAS 852375-31-6) is a chemical compound with molecular formula C19H21N5OS and molecular weight 367.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1-piperidin-1-ylethanone
Also Known As: AB00411852-03, F0676-0481, 1-(piperidin-1-yl)-2-((3-(p-tolyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)ethanone, 3-(4-methylphenyl)-6-[(2-oxo-2-piperidin-1-ylethyl)thio][1,2,4]triazolo[4,3-b]pyridazine, 2-[[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1-piperidin-1-ylethanone
| Molecular Formula | C19H21N5OS |
|---|---|
| Molecular Weight | 367.15 g/mol |
| LogP | 3.20432 |
| Topological Polar Surface Area | 63.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 367.14667 |
| Heavy Atoms | 26 |
| Complexity | 915.3291 |
Chemical Identifiers
| CAS Number | 852375-31-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN=C3N2N=C(C=C3)SCC(=O)N4CCCCC4 |
Product Overview
AB00411852-03 (CAS 852375-31-6), with molecular formula C19H21N5OS and molecular weight 367.15 g/mol. IUPAC: 2-[[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1-piperidin-1-ylethanone.
Chemical Property Profile of AB00411852-03
Property Insights of AB00411852-03
The XLogP value of 3.20432 indicates that AB00411852-03 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.39 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00411852-03. Following Lipinski's Rule of Five, AB00411852-03 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 AB00411852-03?
The CAS number of AB00411852-03 is 852375-31-6.
What is the molecular formula of AB00411852-03?
The molecular formula of AB00411852-03 is C19H21N5OS.
What is the molecular weight of AB00411852-03?
The molecular weight of AB00411852-03 is 367.15 g/mol.
Where can I buy AB00411852-03?
You can request a quote for AB00411852-03 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00411852-03?
Yes, KEHONG BIO provides custom synthesis services for AB00411852-03 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.