IN 253
TL;DR: IN 253 (CAS 63991-56-0) is a chemical compound with molecular formula C19H28Br2N2 and molecular weight 442.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl-[3-(2-methyl-1,3-dihydrobenzo[de]isoquinolin-2-ium-2-yl)propyl]azanium dibromide
Also Known As: IN 253, Ammonium, (3-(2-methyl-1,2,3-trihydrobenz(de)isoquinolinio)propyl)trimethyl-, dibromide, Benz(de)isoquinolinium, 1,2,3-trihydro-2-methyl-2-(3-(trimethylammonio)propyl)-, dibromide, 1H-Benz[de]isoquinolinium, 2,3-dihydro-2-methyl-2-[3-(trimethylammonio)propyl]-, dibromide, trimethyl-[3-(2-methyl-1,3-dihydrobenzo[de]isoquinolin-2-ium-2-yl)propyl]azanium dibromide
| Molecular Formula | C19H28Br2N2 |
|---|---|
| Molecular Weight | 442.06 g/mol |
| LogP | -2.5957 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 4 |
| Exact Mass | 442.06192 |
| Heavy Atoms | 23 |
| Complexity | 621.20746 |
Chemical Identifiers
| CAS Number | 63991-56-0 |
|---|---|
| SMILES | C[N+]1(CC2=CC=CC3=C2C(=CC=C3)C1)CCC[N+](C)(C)C.[Br-].[Br-] |
Product Overview
IN 253 (CAS 63991-56-0), with molecular formula C19H28Br2N2 and molecular weight 442.06 g/mol. IUPAC: trimethyl-[3-(2-methyl-1,3-dihydrobenzo[de]isoquinolin-2-ium-2-yl)propyl]azanium dibromide.
Chemical Property Profile of IN 253
Property Insights of IN 253
The XLogP value of -2.5957 indicates that IN 253 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 253 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, IN 253 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 253?
The CAS number of IN 253 is 63991-56-0.
What is the molecular formula of IN 253?
The molecular formula of IN 253 is C19H28Br2N2.
What is the molecular weight of IN 253?
The molecular weight of IN 253 is 442.06 g/mol.
Where can I buy IN 253?
You can request a quote for IN 253 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IN 253?
Yes, KEHONG BIO provides custom synthesis services for IN 253 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.