JLB 30i
TL;DR: JLB 30i (CAS 53412-87-6) is a chemical compound with molecular formula C21H24IN3O3 and molecular weight 493.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]-3-phenylquinazoline-2,4-dione iodide
Also Known As: JLB 30i, Morpholinium, 4-(2-(3,4-dihydro-2,4-dioxo-3-phenyl-1(2H)-quinazolinyl)ethyl)-4-methoxy-, iodide, 1-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]-3-phenylquinazoline-2,4-dione iodide, 4-[2-(2,4-Dioxo-3-phenyl-3,4-dihydroquinazolin-1(2H)-yl)ethyl]-4-methylmorpholin-4-ium iodide, RefChem:357908
| Molecular Formula | C21H24IN3O3 |
|---|---|
| Molecular Weight | 493.09 g/mol |
| LogP | -1.3668 |
| Topological Polar Surface Area | 53.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 493.08624 |
| Heavy Atoms | 28 |
| Complexity | 1069.6863 |
Chemical Identifiers
| CAS Number | 53412-87-6 |
|---|---|
| SMILES | C[N+]1(CCOCC1)CCN2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=C4.[I-] |
Product Overview
JLB 30i (CAS 53412-87-6), with molecular formula C21H24IN3O3 and molecular weight 493.09 g/mol. IUPAC: 1-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]-3-phenylquinazoline-2,4-dione iodide.
Chemical Property Profile of JLB 30i
Property Insights of JLB 30i
The XLogP value of -1.3668 indicates that JLB 30i is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 53.23 Ų, JLB 30i exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, JLB 30i 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 JLB 30i?
The CAS number of JLB 30i is 53412-87-6.
What is the molecular formula of JLB 30i?
The molecular formula of JLB 30i is C21H24IN3O3.
What is the molecular weight of JLB 30i?
The molecular weight of JLB 30i is 493.09 g/mol.
Where can I buy JLB 30i?
You can request a quote for JLB 30i directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for JLB 30i?
Yes, KEHONG BIO provides custom synthesis services for JLB 30i and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.