4'-tert-Butyl-4-(4-(hydroxybenzhydryl)piperidino)butyrophenone
TL;DR: 4'-tert-Butyl-4-(4-(hydroxybenzhydryl)piperidino)butyrophenone (CAS 43076-30-8) is a chemical compound with molecular formula C32H39NO2 and molecular weight 469.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-one
Also Known As: terfenadone, TERFENADINONE, Terfenadine EP Impurity A, Terfenadine impurity A CRS, MDL 9917
| Molecular Formula | C32H39NO2 |
|---|---|
| Molecular Weight | 469.30 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 469.29807 |
| Heavy Atoms | 35 |
| Complexity | 621.0 |
Chemical Identifiers
| CAS Number | 43076-30-8 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O |
| InChIKey | YCADFOXVGUGHRV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4'-tert-Butyl-4-(4-(hydroxybenzhydryl)piperidino)butyrophenone (CAS 43076-30-8), with molecular formula C32H39NO2 and molecular weight 469.30 g/mol. IUPAC: 1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-one.
Chemical Property Profile of 4'-tert-Butyl-4-(4-(hydroxybenzhydryl)piperidino)butyrophenone
Property Insights of 4'-tert-Butyl-4-(4-(hydroxybenzhydryl)piperidino)butyrophenone
The XLogP value of 6.7 indicates that 4'-tert-Butyl-4-(4-(hydroxybenzhydryl)piperidino)butyrophenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 4'-tert-Butyl-4-(4-(hydroxybenzhydryl)piperidino)butyrophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4'-tert-Butyl-4-(4-(hydroxybenzhydryl)piperidino)butyrophenone has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4'-tert-Butyl-4-(4-(hydroxybenzhydryl)piperidino)butyrophenone?
The CAS number of 4'-tert-Butyl-4-(4-(hydroxybenzhydryl)piperidino)butyrophenone is 43076-30-8.
What is the molecular formula of 4'-tert-Butyl-4-(4-(hydroxybenzhydryl)piperidino)butyrophenone?
The molecular formula of 4'-tert-Butyl-4-(4-(hydroxybenzhydryl)piperidino)butyrophenone is C32H39NO2.
What is the molecular weight of 4'-tert-Butyl-4-(4-(hydroxybenzhydryl)piperidino)butyrophenone?
The molecular weight of 4'-tert-Butyl-4-(4-(hydroxybenzhydryl)piperidino)butyrophenone is 469.30 g/mol.
Where can I buy 4'-tert-Butyl-4-(4-(hydroxybenzhydryl)piperidino)butyrophenone?
You can request a quote for 4'-tert-Butyl-4-(4-(hydroxybenzhydryl)piperidino)butyrophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-tert-Butyl-4-(4-(hydroxybenzhydryl)piperidino)butyrophenone?
Yes, KEHONG BIO provides custom synthesis services for 4'-tert-Butyl-4-(4-(hydroxybenzhydryl)piperidino)butyrophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.