RefChem:378123
TL;DR: RefChem:378123 (CAS 79808-80-3) is a chemical compound with molecular formula C27H31BrINO and molecular weight 591.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-[(2-bromophenyl)methyl]-1-methylpyrrolidin-1-ium-2-yl]-1,3-diphenylpropan-2-ol iodide
Also Known As: 1-(Bromobenzyl)-2-(1-hydroxy-2-phenyl-1-benzylethyl)-1-methylpyrrolidinium iodide, Pyrrolidinium, 1-((bromophenyl)methyl)-2-(1-hydroxy-2-phenyl-1-(phenylmethyl)ethyl)-1-methyl-,iodide, 1-[(2-Bromophenyl)methyl]-2-(2-hydroxy-1,3-diphenylpropan-2-yl)-1-methylpyrrolidin-1-ium iodide, 2-[1-[(2-bromophenyl)methyl]-1-methylpyrrolidin-1-ium-2-yl]-1,3-diphenylpropan-2-ol iodide, RefChem:378123
| Molecular Formula | C27H31BrINO |
|---|---|
| Molecular Weight | 591.06 g/mol |
| LogP | 2.7786 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 591.06335 |
| Heavy Atoms | 31 |
| Complexity | 923.74005 |
Chemical Identifiers
| CAS Number | 79808-80-3 |
|---|---|
| SMILES | C[N+]1(CCCC1C(CC2=CC=CC=C2)(CC3=CC=CC=C3)O)CC4=CC=CC=C4Br.[I-] |
Product Overview
RefChem:378123 (CAS 79808-80-3), with molecular formula C27H31BrINO and molecular weight 591.06 g/mol. IUPAC: 2-[1-[(2-bromophenyl)methyl]-1-methylpyrrolidin-1-ium-2-yl]-1,3-diphenylpropan-2-ol iodide.
Chemical Property Profile of RefChem:378123
Property Insights of RefChem:378123
The XLogP value of 2.7786 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:378123. With a topological polar surface area (TPSA) of 20.23 Ų, RefChem:378123 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:378123 has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:378123?
The CAS number of RefChem:378123 is 79808-80-3.
What is the molecular formula of RefChem:378123?
The molecular formula of RefChem:378123 is C27H31BrINO.
What is the molecular weight of RefChem:378123?
The molecular weight of RefChem:378123 is 591.06 g/mol.
Where can I buy RefChem:378123?
You can request a quote for RefChem:378123 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:378123?
Yes, KEHONG BIO provides custom synthesis services for RefChem:378123 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.