RefChem:269679
TL;DR: RefChem:269679 (CAS 29285-74-3) is a chemical compound with molecular formula C17H21BrClN3O2 and molecular weight 413.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-bromophenyl)-4-methyl-2-(2-morpholin-4-ylethyl)pyridazin-3-one;hydrochloride
Also Known As: 3(2H)-Pyridazinone, 6-(p-bromophenyl)-4-methyl-2-(2-morpholinoethyl)-, hydrochloride, 3 -Pyridazinone,6- -4-methyl-2- -,hydrochloride, Morpholinoethyl-2 methyl-4 (p-bromophenyl)-6 pyridazone-3 chlorhydate [French], 6-(p-Bromophenyl)-4-methyl-2-(2-morpholinoethyl)-3(2H)-pyridazinone hydrochloride, Morpholinoethyl-2 methyl-4 (p-bromophenyl)-6 pyridazone-3 chlorhydate
| Molecular Formula | C17H21BrClN3O2 |
|---|---|
| Molecular Weight | 413.05 g/mol |
| LogP | 2.73522 |
| Topological Polar Surface Area | 45.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 413.05057 |
| Heavy Atoms | 24 |
| Complexity | 492.0 |
Chemical Identifiers
| CAS Number | 29285-74-3 |
|---|---|
| SMILES | CC1=CC(=NN(C1=O)CCN2CCOCC2)C3=CC=C(C=C3)Br.Cl |
| InChIKey | OUDVZCZOONFOBY-UHFFFAOYSA-N |
Product Overview
RefChem:269679 (CAS 29285-74-3), with molecular formula C17H21BrClN3O2 and molecular weight 413.05 g/mol. IUPAC: 6-(4-bromophenyl)-4-methyl-2-(2-morpholin-4-ylethyl)pyridazin-3-one;hydrochloride.
Chemical Property Profile of RefChem:269679
Property Insights of RefChem:269679
The XLogP value of 2.73522 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:269679. With a topological polar surface area (TPSA) of 45.1 Ų, RefChem:269679 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:269679 has 1 hydrogen bond donor(s) and 4 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 RefChem:269679?
The CAS number of RefChem:269679 is 29285-74-3.
What is the molecular formula of RefChem:269679?
The molecular formula of RefChem:269679 is C17H21BrClN3O2.
What is the molecular weight of RefChem:269679?
The molecular weight of RefChem:269679 is 413.05 g/mol.
Where can I buy RefChem:269679?
You can request a quote for RefChem:269679 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:269679?
Yes, KEHONG BIO provides custom synthesis services for RefChem:269679 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.