Propiophenone, 3'-hydroxy-3-piperidino-, benzoate (ester), hydrochloride
TL;DR: Propiophenone, 3'-hydroxy-3-piperidino-, benzoate (ester), hydrochloride (CAS 59004-87-4) is a chemical compound with molecular formula C21H24ClNO3 and molecular weight 373.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(3-piperidin-1-ylpropanoyl)phenyl] benzoate;hydrochloride
Also Known As: Propiophenone, 3'-hydroxy-3-piperidino-, benzoate (ester), hydrochloride, 1-(3-(Benzoyloxy)phenyl)-3-(1-piperidinyl)-1-propanone hydrochloride, 1-Propanone, 1-(3-(benzoyloxy)phenyl)-3-(1-piperidinyl)-, hydrochloride, [3-(3-piperidin-1-ylpropanoyl)phenyl] benzoate hydrochloride, 3-[3-(Piperidin-1-yl)propanoyl]phenyl benzoate--hydrogen chloride (1/1)
| Molecular Formula | C21H24ClNO3 |
|---|---|
| Molecular Weight | 373.14 g/mol |
| LogP | 4.3863 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 373.14447 |
| Heavy Atoms | 26 |
| Complexity | 727.04584 |
Chemical Identifiers
| CAS Number | 59004-87-4 |
|---|---|
| SMILES | C1CCN(CC1)CCC(=O)C2=CC(=CC=C2)OC(=O)C3=CC=CC=C3.Cl |
Product Overview
Propiophenone, 3'-hydroxy-3-piperidino-, benzoate (ester), hydrochloride (CAS 59004-87-4), with molecular formula C21H24ClNO3 and molecular weight 373.14 g/mol. IUPAC: [3-(3-piperidin-1-ylpropanoyl)phenyl] benzoate;hydrochloride.
Chemical Property Profile of Propiophenone, 3'-hydroxy-3-piperidino-, benzoate (ester), hydrochloride
Property Insights of Propiophenone, 3'-hydroxy-3-piperidino-, benzoate (ester), hydrochloride
The XLogP value of 4.3863 indicates that Propiophenone, 3'-hydroxy-3-piperidino-, benzoate (ester), hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.61 Ų, Propiophenone, 3'-hydroxy-3-piperidino-, benzoate (ester), hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propiophenone, 3'-hydroxy-3-piperidino-, benzoate (ester), hydrochloride has 0 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 Propiophenone, 3'-hydroxy-3-piperidino-, benzoate (ester), hydrochloride?
The CAS number of Propiophenone, 3'-hydroxy-3-piperidino-, benzoate (ester), hydrochloride is 59004-87-4.
What is the molecular formula of Propiophenone, 3'-hydroxy-3-piperidino-, benzoate (ester), hydrochloride?
The molecular formula of Propiophenone, 3'-hydroxy-3-piperidino-, benzoate (ester), hydrochloride is C21H24ClNO3.
What is the molecular weight of Propiophenone, 3'-hydroxy-3-piperidino-, benzoate (ester), hydrochloride?
The molecular weight of Propiophenone, 3'-hydroxy-3-piperidino-, benzoate (ester), hydrochloride is 373.14 g/mol.
Where can I buy Propiophenone, 3'-hydroxy-3-piperidino-, benzoate (ester), hydrochloride?
You can request a quote for Propiophenone, 3'-hydroxy-3-piperidino-, benzoate (ester), hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propiophenone, 3'-hydroxy-3-piperidino-, benzoate (ester), hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Propiophenone, 3'-hydroxy-3-piperidino-, benzoate (ester), hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.