Propiophenone, 4'-ethoxy-3-(hexahydro-1H-azepin-1-yl)-, hydrochloride
TL;DR: Propiophenone, 4'-ethoxy-3-(hexahydro-1H-azepin-1-yl)-, hydrochloride (CAS 18075-21-3) is a chemical compound with molecular formula C17H26ClNO2 and molecular weight 311.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(azepan-1-yl)-1-(4-ethoxyphenyl)propan-1-one;hydrochloride
Also Known As: p-Ethoxy-beta-hexamethyleniminopropiophenone hydrochloride, Propiophenone, 4'-ethoxy-3-(hexahydro-1H-azepin-1-yl)-, hydrochloride, 4'-Ethoxy-3-(1-hexamethyleneimino)propiophenone hydrochloride, 4'-Ethoxy-3-(hexahydro-1H-azepin-1-yl)propiophenone hydrochloride, 3-Azepan-1-yl-1-(4-ethoxy-phenyl)-propan-1-one
| Molecular Formula | C17H26ClNO2 |
|---|---|
| Molecular Weight | 311.17 g/mol |
| LogP | 3.9559 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 311.1652 |
| Heavy Atoms | 21 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 18075-21-3 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C(=O)CCN2CCCCCC2.Cl |
| InChIKey | SPVDOPHFKVSIAX-UHFFFAOYSA-N |
Product Overview
Propiophenone, 4'-ethoxy-3-(hexahydro-1H-azepin-1-yl)-, hydrochloride (CAS 18075-21-3), with molecular formula C17H26ClNO2 and molecular weight 311.17 g/mol. IUPAC: 3-(azepan-1-yl)-1-(4-ethoxyphenyl)propan-1-one;hydrochloride.
Chemical Property Profile of Propiophenone, 4'-ethoxy-3-(hexahydro-1H-azepin-1-yl)-, hydrochloride
Property Insights of Propiophenone, 4'-ethoxy-3-(hexahydro-1H-azepin-1-yl)-, hydrochloride
The XLogP value of 3.9559 indicates that Propiophenone, 4'-ethoxy-3-(hexahydro-1H-azepin-1-yl)-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Propiophenone, 4'-ethoxy-3-(hexahydro-1H-azepin-1-yl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propiophenone, 4'-ethoxy-3-(hexahydro-1H-azepin-1-yl)-, hydrochloride has 1 hydrogen bond donor(s) and 3 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, 4'-ethoxy-3-(hexahydro-1H-azepin-1-yl)-, hydrochloride?
The CAS number of Propiophenone, 4'-ethoxy-3-(hexahydro-1H-azepin-1-yl)-, hydrochloride is 18075-21-3.
What is the molecular formula of Propiophenone, 4'-ethoxy-3-(hexahydro-1H-azepin-1-yl)-, hydrochloride?
The molecular formula of Propiophenone, 4'-ethoxy-3-(hexahydro-1H-azepin-1-yl)-, hydrochloride is C17H26ClNO2.
What is the molecular weight of Propiophenone, 4'-ethoxy-3-(hexahydro-1H-azepin-1-yl)-, hydrochloride?
The molecular weight of Propiophenone, 4'-ethoxy-3-(hexahydro-1H-azepin-1-yl)-, hydrochloride is 311.17 g/mol.
Where can I buy Propiophenone, 4'-ethoxy-3-(hexahydro-1H-azepin-1-yl)-, hydrochloride?
You can request a quote for Propiophenone, 4'-ethoxy-3-(hexahydro-1H-azepin-1-yl)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propiophenone, 4'-ethoxy-3-(hexahydro-1H-azepin-1-yl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Propiophenone, 4'-ethoxy-3-(hexahydro-1H-azepin-1-yl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.