1-Penten-3-one, 4,4-dimethyl-1-(4-pyridinyl)-, hydrochloride
TL;DR: 1-Penten-3-one, 4,4-dimethyl-1-(4-pyridinyl)-, hydrochloride (CAS 58344-37-9) is a chemical compound with molecular formula C12H16ClNO and molecular weight 225.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4,4-dimethyl-1-pyridin-4-ylpent-1-en-3-one;hydrochloride
Also Known As: D 648, 1-(4-Pyridyl)-4,4-dimethylpent-1-en-3-one hydrochloride, 1-Penten-3-one, 4,4-dimethyl-1-(4-pyridinyl)-, hydrochloride, 4,4-Dimethyl-1-(4-pyridinyl)-1-penten-3-one hydrochloride, (E)-4,4-dimethyl-1-pyridin-4-ylpent-1-en-3-one hydrochloride
| Molecular Formula | C12H16ClNO |
|---|---|
| Molecular Weight | 225.09 g/mol |
| LogP | 3.1318 |
| Topological Polar Surface Area | 29.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 225.09204 |
| Heavy Atoms | 15 |
| Complexity | 338.3898 |
Chemical Identifiers
| CAS Number | 58344-37-9 |
|---|---|
| SMILES | CC(C)(C)C(=O)/C=C/C1=CC=NC=C1.Cl |
Product Overview
1-Penten-3-one, 4,4-dimethyl-1-(4-pyridinyl)-, hydrochloride (CAS 58344-37-9), with molecular formula C12H16ClNO and molecular weight 225.09 g/mol. IUPAC: (E)-4,4-dimethyl-1-pyridin-4-ylpent-1-en-3-one;hydrochloride.
Chemical Property Profile of 1-Penten-3-one, 4,4-dimethyl-1-(4-pyridinyl)-, hydrochloride
Property Insights of 1-Penten-3-one, 4,4-dimethyl-1-(4-pyridinyl)-, hydrochloride
The XLogP value of 3.1318 indicates that 1-Penten-3-one, 4,4-dimethyl-1-(4-pyridinyl)-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.96 Ų, 1-Penten-3-one, 4,4-dimethyl-1-(4-pyridinyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Penten-3-one, 4,4-dimethyl-1-(4-pyridinyl)-, hydrochloride has 0 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 1-Penten-3-one, 4,4-dimethyl-1-(4-pyridinyl)-, hydrochloride?
The CAS number of 1-Penten-3-one, 4,4-dimethyl-1-(4-pyridinyl)-, hydrochloride is 58344-37-9.
What is the molecular formula of 1-Penten-3-one, 4,4-dimethyl-1-(4-pyridinyl)-, hydrochloride?
The molecular formula of 1-Penten-3-one, 4,4-dimethyl-1-(4-pyridinyl)-, hydrochloride is C12H16ClNO.
What is the molecular weight of 1-Penten-3-one, 4,4-dimethyl-1-(4-pyridinyl)-, hydrochloride?
The molecular weight of 1-Penten-3-one, 4,4-dimethyl-1-(4-pyridinyl)-, hydrochloride is 225.09 g/mol.
Where can I buy 1-Penten-3-one, 4,4-dimethyl-1-(4-pyridinyl)-, hydrochloride?
You can request a quote for 1-Penten-3-one, 4,4-dimethyl-1-(4-pyridinyl)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Penten-3-one, 4,4-dimethyl-1-(4-pyridinyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-Penten-3-one, 4,4-dimethyl-1-(4-pyridinyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.