RefChem:1055107
TL;DR: RefChem:1055107 (CAS 43076-44-4) is a chemical compound with molecular formula C32H40ClNO2 and molecular weight 505.27 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-ium-1-yl]butan-1-one chloride
Also Known As: BUTYL-4-N-TERFENADONE, 1-(3-(p-tert-Butylbenzoyl)propyl)-4-(hydroxybenzhydryl)piperidinium chloride, 1-[3-(p-tert-butylbenzoyl)propyl]-4-(hydroxybenzhydryl)piperidinium chloride, Butyrophenone, 4'-tert-butyl-4-(4-(diphenylhydroxymethyl)piperidino)-, hydrochloride, 4'-tert-Butyl-4-(4-(diphenylhydroxymethyl)piperidino)butyrophenone hydrochloride
| Molecular Formula | C32H40ClNO2 |
|---|---|
| Molecular Weight | 505.27 g/mol |
| LogP | 2.18 |
| Topological Polar Surface Area | 41.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 505.27475 |
| Heavy Atoms | 36 |
| Complexity | 621.0 |
Chemical Identifiers
| CAS Number | 43076-44-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)CCC[NH+]2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O.[Cl-] |
| InChIKey | IIYRCIWQBYASFL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:1055107 (CAS 43076-44-4), with molecular formula C32H40ClNO2 and molecular weight 505.27 g/mol. IUPAC: 1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-ium-1-yl]butan-1-one chloride.
Chemical Property Profile of RefChem:1055107
Property Insights of RefChem:1055107
The XLogP value of 2.18 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1055107. With a topological polar surface area (TPSA) of 41.7 Ų, RefChem:1055107 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1055107 has 2 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 RefChem:1055107?
The CAS number of RefChem:1055107 is 43076-44-4.
What is the molecular formula of RefChem:1055107?
The molecular formula of RefChem:1055107 is C32H40ClNO2.
What is the molecular weight of RefChem:1055107?
The molecular weight of RefChem:1055107 is 505.27 g/mol.
Where can I buy RefChem:1055107?
You can request a quote for RefChem:1055107 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1055107?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1055107 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.