IN 317
TL;DR: IN 317 (CAS 63991-55-9) is a chemical compound with molecular formula C21H30Br2N2 and molecular weight 468.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-2-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]-1,3-dihydrobenzo[de]isoquinolin-2-ium dibromide
Also Known As: IN 317, Benz(de)isoquinolinium, 1,2,3-trihydro-2-methyl-2-(3-(1-methylpyrrolidinio)propyl)-, dibromide, 1H-Benz[de]isoquinolinium, 2,3-dihydro-2-methyl-2-[3-(1-methylpyrrolidinio)propyl]-, dibromide, 2-methyl-2-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]-1,3-dihydrobenzo[de]isoquinolin-2-ium dibromide, 2-Methyl-2-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]-2,3-dihydro-1H-benzo[de]isoquinolin-2-ium dibromide
| Molecular Formula | C21H30Br2N2 |
|---|---|
| Molecular Weight | 468.08 g/mol |
| LogP | -2.0615 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 4 |
| Exact Mass | 468.07758 |
| Heavy Atoms | 25 |
| Complexity | 682.1579 |
Chemical Identifiers
| CAS Number | 63991-55-9 |
|---|---|
| SMILES | C[N+]1(CCCC1)CCC[N+]2(CC3=CC=CC4=C3C(=CC=C4)C2)C.[Br-].[Br-] |
Product Overview
IN 317 (CAS 63991-55-9), with molecular formula C21H30Br2N2 and molecular weight 468.08 g/mol. IUPAC: 2-methyl-2-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]-1,3-dihydrobenzo[de]isoquinolin-2-ium dibromide.
Chemical Property Profile of IN 317
Property Insights of IN 317
The XLogP value of -2.0615 indicates that IN 317 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 0.0 Ų, IN 317 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, IN 317 has 0 hydrogen bond donor(s) and 0 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 IN 317?
The CAS number of IN 317 is 63991-55-9.
What is the molecular formula of IN 317?
The molecular formula of IN 317 is C21H30Br2N2.
What is the molecular weight of IN 317?
The molecular weight of IN 317 is 468.08 g/mol.
Where can I buy IN 317?
You can request a quote for IN 317 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IN 317?
Yes, KEHONG BIO provides custom synthesis services for IN 317 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.