BAS 00442534
TL;DR: BAS 00442534 (CAS 415706-33-1) is a chemical compound with molecular formula C15H15ClN4O and molecular weight 302.09 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-[1,2,4]triazolo[4,3-b]pyridazin-1-ium-8-olate
Also Known As: BAS 00442534, BIM-0026494.P001, 1-(2-Chlorobenzyl)-7-ethyl-6-methyl-1H-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-8-olate, 1-[(2-chlorophenyl)methyl]-7-ethyl-6-methyl-1,2,4-triazolo[4,5-e]pyridazin-8-o l, 1-[(2-chlorophenyl)methyl]-7-ethyl-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-8-olate
| Molecular Formula | C15H15ClN4O |
|---|---|
| Molecular Weight | 302.09 g/mol |
| LogP | 1.66292 |
| Topological Polar Surface Area | 57.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 302.09344 |
| Heavy Atoms | 21 |
| Complexity | 812.784 |
Chemical Identifiers
| CAS Number | 415706-33-1 |
|---|---|
| SMILES | CCC1=C(C2=[N+](N=CN2N=C1C)CC3=CC=CC=C3Cl)[O-] |
Product Overview
BAS 00442534 (CAS 415706-33-1), with molecular formula C15H15ClN4O and molecular weight 302.09 g/mol. IUPAC: 1-[(2-chlorophenyl)methyl]-7-ethyl-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-1-ium-8-olate.
Chemical Property Profile of BAS 00442534
Property Insights of BAS 00442534
The XLogP value of 1.66292 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00442534. With a topological polar surface area (TPSA) of 57.13 Ų, BAS 00442534 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00442534 has 0 hydrogen bond donor(s) and 3 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 00442534?
The CAS number of BAS 00442534 is 415706-33-1.
What is the molecular formula of BAS 00442534?
The molecular formula of BAS 00442534 is C15H15ClN4O.
What is the molecular weight of BAS 00442534?
The molecular weight of BAS 00442534 is 302.09 g/mol.
Where can I buy BAS 00442534?
You can request a quote for BAS 00442534 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00442534?
Yes, KEHONG BIO provides custom synthesis services for BAS 00442534 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.