ChemDiv3_010762
TL;DR: ChemDiv3_010762 (CAS 852376-15-9) is a chemical compound with molecular formula C19H21N5O2S and molecular weight 383.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1-piperidin-1-ylethanone
Also Known As: ChemDiv3_010762, IDI1_028320, AB00672068-01, F0676-0600, 2-((3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)-1-(piperidin-1-yl)ethanone
| Molecular Formula | C19H21N5O2S |
|---|---|
| Molecular Weight | 383.14 g/mol |
| LogP | 2.9045 |
| Topological Polar Surface Area | 72.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 383.1416 |
| Heavy Atoms | 27 |
| Complexity | 934.9279 |
Chemical Identifiers
| CAS Number | 852376-15-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NN=C3N2N=C(C=C3)SCC(=O)N4CCCCC4 |
Product Overview
ChemDiv3_010762 (CAS 852376-15-9), with molecular formula C19H21N5O2S and molecular weight 383.14 g/mol. IUPAC: 2-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1-piperidin-1-ylethanone.
Chemical Property Profile of ChemDiv3_010762
Property Insights of ChemDiv3_010762
The XLogP value of 2.9045 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_010762. The TPSA of 72.62 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_010762. Following Lipinski's Rule of Five, ChemDiv3_010762 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 ChemDiv3_010762?
The CAS number of ChemDiv3_010762 is 852376-15-9.
What is the molecular formula of ChemDiv3_010762?
The molecular formula of ChemDiv3_010762 is C19H21N5O2S.
What is the molecular weight of ChemDiv3_010762?
The molecular weight of ChemDiv3_010762 is 383.14 g/mol.
Where can I buy ChemDiv3_010762?
You can request a quote for ChemDiv3_010762 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_010762?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_010762 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.