Cerm 11888
TL;DR: Cerm 11888 (CAS 103424-99-3) is a chemical compound with molecular formula C25H37BrN2O and molecular weight 460.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-N-[3-(2-methylpropoxy)-2-(1-methylpyrrolidin-1-ium-1-yl)propyl]aniline bromide
Also Known As: Cerm 11888, Pyrrolidinium, 1-methyl-1-(1-((2-methylpropoxy)methyl)-2-(phenyl(phenylmethyl)amino)ethyl)-, bromide, N-benzyl-N-[3-(2-methylpropoxy)-2-(1-methylpyrrolidin-1-ium-1-yl)propyl]aniline bromide, N-benzyl-N-[3-(2-methylpropoxy)-2-(1-methylpyrrolidin-1-ium-1-yl)propyl]aniline;bromide, 1-{1-[Benzyl(phenyl)amino]-3-(2-methylpropoxy)propan-2-yl}-1-methylpyrrolidin-1-ium bromide
| Molecular Formula | C25H37BrN2O |
|---|---|
| Molecular Weight | 460.21 g/mol |
| LogP | 1.9788 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 460.20892 |
| Heavy Atoms | 29 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 103424-99-3 |
|---|---|
| SMILES | CC(C)COCC(CN(CC1=CC=CC=C1)C2=CC=CC=C2)[N+]3(CCCC3)C.[Br-] |
| InChIKey | SNDDYCQJMICBCK-UHFFFAOYSA-M |
Product Overview
Cerm 11888 (CAS 103424-99-3), with molecular formula C25H37BrN2O and molecular weight 460.21 g/mol. IUPAC: N-benzyl-N-[3-(2-methylpropoxy)-2-(1-methylpyrrolidin-1-ium-1-yl)propyl]aniline bromide.
Chemical Property Profile of Cerm 11888
Property Insights of Cerm 11888
The XLogP value of 1.9788 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cerm 11888. With a topological polar surface area (TPSA) of 12.5 Ų, Cerm 11888 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cerm 11888 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 Cerm 11888?
The CAS number of Cerm 11888 is 103424-99-3.
What is the molecular formula of Cerm 11888?
The molecular formula of Cerm 11888 is C25H37BrN2O.
What is the molecular weight of Cerm 11888?
The molecular weight of Cerm 11888 is 460.21 g/mol.
Where can I buy Cerm 11888?
You can request a quote for Cerm 11888 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cerm 11888?
Yes, KEHONG BIO provides custom synthesis services for Cerm 11888 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.