RefChem:341252
TL;DR: RefChem:341252 (CAS 79010-21-2) is a chemical compound with molecular formula C22H26BrNO4 and molecular weight 447.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-bromo-2-[2-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propoxy]phenyl]ethanone
Also Known As: 1-(5-Bromo-2-(2-hydroxy-3-(4-hydroxy-4-phenyl-1-piperidinyl)propoxy)phenyl)ethanone, Ethanone, 1-(5-bromo-2-(2-hydroxy-3-(4-hydroxy-4-phenyl-1-piperidinyl)propoxy)phenyl)-, 1-[5-bromo-2-[2-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propoxy]phenyl]ethanone, 1-{5-Bromo-2-[2-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propoxy]phenyl}ethan-1-one, RefChem:341252
| Molecular Formula | C22H26BrNO4 |
|---|---|
| Molecular Weight | 447.10 g/mol |
| LogP | 3.375 |
| Topological Polar Surface Area | 70.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 447.10452 |
| Heavy Atoms | 28 |
| Complexity | 803.43896 |
Chemical Identifiers
| CAS Number | 79010-21-2 |
|---|---|
| SMILES | CC(=O)C1=C(C=CC(=C1)Br)OCC(CN2CCC(CC2)(C3=CC=CC=C3)O)O |
Product Overview
RefChem:341252 (CAS 79010-21-2), with molecular formula C22H26BrNO4 and molecular weight 447.10 g/mol. IUPAC: 1-[5-bromo-2-[2-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propoxy]phenyl]ethanone.
Chemical Property Profile of RefChem:341252
Property Insights of RefChem:341252
The XLogP value of 3.375 indicates that RefChem:341252 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:341252. Following Lipinski's Rule of Five, RefChem:341252 has 2 hydrogen bond donor(s) and 5 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:341252?
The CAS number of RefChem:341252 is 79010-21-2.
What is the molecular formula of RefChem:341252?
The molecular formula of RefChem:341252 is C22H26BrNO4.
What is the molecular weight of RefChem:341252?
The molecular weight of RefChem:341252 is 447.10 g/mol.
Where can I buy RefChem:341252?
You can request a quote for RefChem:341252 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:341252?
Yes, KEHONG BIO provides custom synthesis services for RefChem:341252 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.