1-Penten-3-ol, 4,4-dimethyl-1-(2-pyridinyl)-, hydrochloride
TL;DR: 1-Penten-3-ol, 4,4-dimethyl-1-(2-pyridinyl)-, hydrochloride (CAS 58344-52-8) is a chemical compound with molecular formula C12H18ClNO and molecular weight 227.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4,4-dimethyl-1-pyridin-2-ylpent-1-en-3-ol;hydrochloride
Also Known As: D 511, 1-(2-Pyridyl)-4,4-dimethylpent-1-en-3-ol hydrochloride, 1-Penten-3-ol, 4,4-dimethyl-1-(2-pyridinyl)-, hydrochloride, 4,4-Dimethyl-1-(2-pyridinyl)-1-penten-3-ol hydrochloride, (E)-4,4-dimethyl-1-pyridin-2-ylpent-1-en-3-ol hydrochloride
| Molecular Formula | C12H18ClNO |
|---|---|
| Molecular Weight | 227.11 g/mol |
| LogP | 2.9236 |
| Topological Polar Surface Area | 33.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 227.1077 |
| Heavy Atoms | 15 |
| Complexity | 303.1482 |
Chemical Identifiers
| CAS Number | 58344-52-8 |
|---|---|
| SMILES | CC(C)(C)C(/C=C/C1=CC=CC=N1)O.Cl |
Product Overview
1-Penten-3-ol, 4,4-dimethyl-1-(2-pyridinyl)-, hydrochloride (CAS 58344-52-8), with molecular formula C12H18ClNO and molecular weight 227.11 g/mol. IUPAC: (E)-4,4-dimethyl-1-pyridin-2-ylpent-1-en-3-ol;hydrochloride.
Chemical Property Profile of 1-Penten-3-ol, 4,4-dimethyl-1-(2-pyridinyl)-, hydrochloride
Property Insights of 1-Penten-3-ol, 4,4-dimethyl-1-(2-pyridinyl)-, hydrochloride
The XLogP value of 2.9236 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Penten-3-ol, 4,4-dimethyl-1-(2-pyridinyl)-, hydrochloride. With a topological polar surface area (TPSA) of 33.12 Ų, 1-Penten-3-ol, 4,4-dimethyl-1-(2-pyridinyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Penten-3-ol, 4,4-dimethyl-1-(2-pyridinyl)-, 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 1-Penten-3-ol, 4,4-dimethyl-1-(2-pyridinyl)-, hydrochloride?
The CAS number of 1-Penten-3-ol, 4,4-dimethyl-1-(2-pyridinyl)-, hydrochloride is 58344-52-8.
What is the molecular formula of 1-Penten-3-ol, 4,4-dimethyl-1-(2-pyridinyl)-, hydrochloride?
The molecular formula of 1-Penten-3-ol, 4,4-dimethyl-1-(2-pyridinyl)-, hydrochloride is C12H18ClNO.
What is the molecular weight of 1-Penten-3-ol, 4,4-dimethyl-1-(2-pyridinyl)-, hydrochloride?
The molecular weight of 1-Penten-3-ol, 4,4-dimethyl-1-(2-pyridinyl)-, hydrochloride is 227.11 g/mol.
Where can I buy 1-Penten-3-ol, 4,4-dimethyl-1-(2-pyridinyl)-, hydrochloride?
You can request a quote for 1-Penten-3-ol, 4,4-dimethyl-1-(2-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-ol, 4,4-dimethyl-1-(2-pyridinyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-Penten-3-ol, 4,4-dimethyl-1-(2-pyridinyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.