4J-949
TL;DR: 4J-949 (CAS 339276-55-0) is a chemical compound with molecular formula C22H26ClN5O2 and molecular weight 427.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,5,6,10b-tetrahydro-1H-[1,2]oxazolo[3,2-a]isoquinolin-2-ylmethyl)-1-(6-chloropyridazin-3-yl)piperidine-4-carboxamide
Also Known As: 4J-949, N-(1,5,6,10b-tetrahydro-2H-isoxazolo[3,2-a]isoquinolin-2-ylmethyl)-1-(6-chloro-3-pyridazinyl)-4-piperidinecarboxamide, N-(2,5,6,10b-tetrahydro-1H-[1,2]oxazolo[3,2-a]isoquinolin-2-ylmethyl)-1-(6-chloropyridazin-3-yl)piperidine-4-carboxamide, N-({1H,2H,5H,6H,10bH-[1,2]oxazolo[3,2-a]isoquinolin-2-yl}methyl)-1-(6-chloropyridazin-3-yl)piperidine-4-carboxamide, N-{1H,2H,5H,6H,10bH-[1,2]oxazolo[3,2-a]isoquinolin-2-ylmethyl}-1-(6-chloropyridazin-3-yl)piperidine-4-carboxamide
| Molecular Formula | C22H26ClN5O2 |
|---|---|
| Molecular Weight | 427.18 g/mol |
| LogP | 2.7659 |
| Topological Polar Surface Area | 70.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 427.1775 |
| Heavy Atoms | 30 |
| Complexity | 900.6558 |
Chemical Identifiers
| CAS Number | 339276-55-0 |
|---|---|
| SMILES | C1CN(CCC1C(=O)NCC2CC3C4=CC=CC=C4CCN3O2)C5=NN=C(C=C5)Cl |
Product Overview
4J-949 (CAS 339276-55-0), with molecular formula C22H26ClN5O2 and molecular weight 427.18 g/mol. IUPAC: N-(2,5,6,10b-tetrahydro-1H-[1,2]oxazolo[3,2-a]isoquinolin-2-ylmethyl)-1-(6-chloropyridazin-3-yl)piperidine-4-carboxamide.
Chemical Property Profile of 4J-949
Property Insights of 4J-949
The XLogP value of 2.7659 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4J-949. The TPSA of 70.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 4J-949. Following Lipinski's Rule of Five, 4J-949 has 1 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 4J-949?
The CAS number of 4J-949 is 339276-55-0.
What is the molecular formula of 4J-949?
The molecular formula of 4J-949 is C22H26ClN5O2.
What is the molecular weight of 4J-949?
The molecular weight of 4J-949 is 427.18 g/mol.
Where can I buy 4J-949?
You can request a quote for 4J-949 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4J-949?
Yes, KEHONG BIO provides custom synthesis services for 4J-949 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.