RefChem:1051733
TL;DR: RefChem:1051733 (CAS 40598-54-7) is a chemical compound with molecular formula C20H24BrF2NO and molecular weight 411.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-bis(3-fluorophenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol;hydrobromide
Also Known As: 1,1-(3,3'-Difluorodiphenyl)-2-methyl-3-(pyrrolidinyl)propanol hydrobromide, 1-Pyrrolidinepropanol, alpha,alpha-bis(m-fluorophenyl)-beta-methyl-, hydrobromide, 1,1-bis(3-fluorophenyl)-2-methyl-3-(pyrrolidin-1-yl)propan-1-ol hydrobromide(1:1), 3,3'-Difluoro-alpha-(1-methyl-2-(pyrrolidinyl)ethyl)benzhydrol hydrobromide, Benzhydrol, 3,3'-difluoro-alpha-(1-methyl-2-(pyrrolidinyl)ethyl)-, hydrobromide
| Molecular Formula | C20H24BrF2NO |
|---|---|
| Molecular Weight | 411.10 g/mol |
| LogP | 4.5105 |
| Topological Polar Surface Area | 23.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.10092 |
| Heavy Atoms | 25 |
| Complexity | 377.0 |
Chemical Identifiers
| CAS Number | 40598-54-7 |
|---|---|
| SMILES | CC(CN1CCCC1)C(C2=CC(=CC=C2)F)(C3=CC(=CC=C3)F)O.Br |
| InChIKey | YRFGXGTWGOBRNQ-UHFFFAOYSA-N |
Product Overview
RefChem:1051733 (CAS 40598-54-7), with molecular formula C20H24BrF2NO and molecular weight 411.10 g/mol. IUPAC: 1,1-bis(3-fluorophenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol;hydrobromide.
Chemical Property Profile of RefChem:1051733
Property Insights of RefChem:1051733
The XLogP value of 4.5105 indicates that RefChem:1051733 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.5 Ų, RefChem:1051733 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1051733 has 2 hydrogen bond donor(s) and 4 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 RefChem:1051733?
The CAS number of RefChem:1051733 is 40598-54-7.
What is the molecular formula of RefChem:1051733?
The molecular formula of RefChem:1051733 is C20H24BrF2NO.
What is the molecular weight of RefChem:1051733?
The molecular weight of RefChem:1051733 is 411.10 g/mol.
Where can I buy RefChem:1051733?
You can request a quote for RefChem:1051733 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1051733?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1051733 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.