BAS 01962746
TL;DR: BAS 01962746 (CAS 1103571-89-6) is a chemical compound with molecular formula C15H16ClN4O+ and molecular weight 303.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2-chlorophenyl)methyl]-7-ethyl-6-methyl-5H-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-8-one
Also Known As: BAS 01962746, 1-(2-Chlorobenzyl)-7-ethyl-8-hydroxy-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-1-ium, 1-[(2-chlorophenyl)methyl]-7-ethyl-6-methyl-5H-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-8-one
| Molecular Formula | C15H16ClN4O+ |
|---|---|
| Molecular Weight | 303.10 g/mol |
| LogP | 1.88262 |
| Topological Polar Surface Area | 54.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 303.10126 |
| Heavy Atoms | 21 |
| Complexity | 865.7264 |
Chemical Identifiers
| CAS Number | 1103571-89-6 |
|---|---|
| SMILES | CCC1=C(N[N+]2=C(C1=O)N(N=C2)CC3=CC=CC=C3Cl)C |
Product Overview
BAS 01962746 (CAS 1103571-89-6), with molecular formula C15H16ClN4O+ and molecular weight 303.10 g/mol. IUPAC: 1-[(2-chlorophenyl)methyl]-7-ethyl-6-methyl-5H-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-8-one.
Chemical Property Profile of BAS 01962746
Property Insights of BAS 01962746
The XLogP value of 1.88262 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01962746. With a topological polar surface area (TPSA) of 54.78 Ų, BAS 01962746 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01962746 has 1 hydrogen bond donor(s) and 2 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 BAS 01962746?
The CAS number of BAS 01962746 is 1103571-89-6.
What is the molecular formula of BAS 01962746?
The molecular formula of BAS 01962746 is C15H16ClN4O+.
What is the molecular weight of BAS 01962746?
The molecular weight of BAS 01962746 is 303.10 g/mol.
Where can I buy BAS 01962746?
You can request a quote for BAS 01962746 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01962746?
Yes, KEHONG BIO provides custom synthesis services for BAS 01962746 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.