(E)-5-Dimethylamino-1-phenyl-pent-1-en-3-one; hydrochloride
TL;DR: (E)-5-Dimethylamino-1-phenyl-pent-1-en-3-one; hydrochloride (CAS 59512-49-1) is a chemical compound with molecular formula C13H18ClNO and molecular weight 239.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(dimethylamino)-1-phenylpent-1-en-3-one;hydrochloride
Also Known As: styryl beta-dimethylaminoethyl ketone hydrochloride, (E)-5-Dimethylamino-1-phenyl-pent-1-en-3-one; hydrochloride, 5-(dimethylamino)-1-phenylpent-1-en-3-one hydrochloride, 5-(Dimethylamino)-1-phenyl-1-penten-3-one, hydrochloride, 5-(dimethylamino)-1-phenyl-pent-1-en-3-one;hydrochloride
| Molecular Formula | C13H18ClNO |
|---|---|
| Molecular Weight | 239.11 g/mol |
| LogP | 2.6424 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 239.1077 |
| Heavy Atoms | 16 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 59512-49-1 |
|---|---|
| SMILES | CN(C)CCC(=O)C=CC1=CC=CC=C1.Cl |
| InChIKey | QFIBMGHTKGVQFG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(E)-5-Dimethylamino-1-phenyl-pent-1-en-3-one; hydrochloride (CAS 59512-49-1), with molecular formula C13H18ClNO and molecular weight 239.11 g/mol. IUPAC: 5-(dimethylamino)-1-phenylpent-1-en-3-one;hydrochloride.
Chemical Property Profile of (E)-5-Dimethylamino-1-phenyl-pent-1-en-3-one; hydrochloride
Property Insights of (E)-5-Dimethylamino-1-phenyl-pent-1-en-3-one; hydrochloride
The XLogP value of 2.6424 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-5-Dimethylamino-1-phenyl-pent-1-en-3-one; hydrochloride. With a topological polar surface area (TPSA) of 20.3 Ų, (E)-5-Dimethylamino-1-phenyl-pent-1-en-3-one; hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-5-Dimethylamino-1-phenyl-pent-1-en-3-one; hydrochloride has 1 hydrogen bond donor(s) and 2 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 (E)-5-Dimethylamino-1-phenyl-pent-1-en-3-one; hydrochloride?
The CAS number of (E)-5-Dimethylamino-1-phenyl-pent-1-en-3-one; hydrochloride is 59512-49-1.
What is the molecular formula of (E)-5-Dimethylamino-1-phenyl-pent-1-en-3-one; hydrochloride?
The molecular formula of (E)-5-Dimethylamino-1-phenyl-pent-1-en-3-one; hydrochloride is C13H18ClNO.
What is the molecular weight of (E)-5-Dimethylamino-1-phenyl-pent-1-en-3-one; hydrochloride?
The molecular weight of (E)-5-Dimethylamino-1-phenyl-pent-1-en-3-one; hydrochloride is 239.11 g/mol.
Where can I buy (E)-5-Dimethylamino-1-phenyl-pent-1-en-3-one; hydrochloride?
You can request a quote for (E)-5-Dimethylamino-1-phenyl-pent-1-en-3-one; hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-5-Dimethylamino-1-phenyl-pent-1-en-3-one; hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for (E)-5-Dimethylamino-1-phenyl-pent-1-en-3-one; hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.