1-(4,5-Dimethyl-1,3-dioxolan-2-yl)-4-methylpent-3-en-2-one
TL;DR: 1-(4,5-Dimethyl-1,3-dioxolan-2-yl)-4-methylpent-3-en-2-one (CAS 56055-64-2) is a chemical compound with molecular formula C11H18O3 and molecular weight 198.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4,5-dimethyl-1,3-dioxolan-2-yl)-4-methylpent-3-en-2-one
Also Known As: 2-Chloronicotinic acid hydrochloride, 1-(4,5-dimethyl-1,3-dioxolan-2-yl)-4-methylpent-3-en-2-one, 5-(4,5-Dimethyl-1,3-dioxolan-2-yl)-2-methylpent-2-en-4-one, Pent-2-en-4-one, 5-(4,5-dimethyl-1,3-dioxolan-2-yl)-2-methyl-, 4-Methyl-1-(4,5-dimethyl-1,3-dioxolan-2-yl)-3-penten-2-one
| Molecular Formula | C11H18O3 |
|---|---|
| Molecular Weight | 198.13 g/mol |
| LogP | 2.0617 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.1256 |
| Heavy Atoms | 14 |
| Complexity | 230.9172 |
Chemical Identifiers
| CAS Number | 56055-64-2 |
|---|---|
| SMILES | CC1C(OC(O1)CC(=O)C=C(C)C)C |
Product Overview
1-(4,5-Dimethyl-1,3-dioxolan-2-yl)-4-methylpent-3-en-2-one (CAS 56055-64-2), with molecular formula C11H18O3 and molecular weight 198.13 g/mol. IUPAC: 1-(4,5-dimethyl-1,3-dioxolan-2-yl)-4-methylpent-3-en-2-one.
Chemical Property Profile of 1-(4,5-Dimethyl-1,3-dioxolan-2-yl)-4-methylpent-3-en-2-one
Property Insights of 1-(4,5-Dimethyl-1,3-dioxolan-2-yl)-4-methylpent-3-en-2-one
The XLogP value of 2.0617 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4,5-Dimethyl-1,3-dioxolan-2-yl)-4-methylpent-3-en-2-one. With a topological polar surface area (TPSA) of 35.53 Ų, 1-(4,5-Dimethyl-1,3-dioxolan-2-yl)-4-methylpent-3-en-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4,5-Dimethyl-1,3-dioxolan-2-yl)-4-methylpent-3-en-2-one has 0 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 1-(4,5-Dimethyl-1,3-dioxolan-2-yl)-4-methylpent-3-en-2-one?
The CAS number of 1-(4,5-Dimethyl-1,3-dioxolan-2-yl)-4-methylpent-3-en-2-one is 56055-64-2.
What is the molecular formula of 1-(4,5-Dimethyl-1,3-dioxolan-2-yl)-4-methylpent-3-en-2-one?
The molecular formula of 1-(4,5-Dimethyl-1,3-dioxolan-2-yl)-4-methylpent-3-en-2-one is C11H18O3.
What is the molecular weight of 1-(4,5-Dimethyl-1,3-dioxolan-2-yl)-4-methylpent-3-en-2-one?
The molecular weight of 1-(4,5-Dimethyl-1,3-dioxolan-2-yl)-4-methylpent-3-en-2-one is 198.13 g/mol.
Where can I buy 1-(4,5-Dimethyl-1,3-dioxolan-2-yl)-4-methylpent-3-en-2-one?
You can request a quote for 1-(4,5-Dimethyl-1,3-dioxolan-2-yl)-4-methylpent-3-en-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4,5-Dimethyl-1,3-dioxolan-2-yl)-4-methylpent-3-en-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(4,5-Dimethyl-1,3-dioxolan-2-yl)-4-methylpent-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.