Hept-3-en-2-one, 1-(1,3-dioxolan-2-yl)-4-propyl-
TL;DR: Hept-3-en-2-one, 1-(1,3-dioxolan-2-yl)-4-propyl- (CAS 56055-62-0) is a chemical compound with molecular formula C13H22O3 and molecular weight 226.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-dioxolan-2-yl)-4-propylhept-3-en-2-one
Also Known As: 1-(1,3-Dioxolan-2-yl)-4-propylhept-3-en-2-one, HEPT-3-EN-2-ONE, 1-(1,3-DIOXOLAN-2-YL)-4-PROPYL-, 1-(1,3-Dioxolan-2-yl)-4-propyl-3-hepten-2-one, 1-(1,3-dioxolan-2-yl)-4-propyl-hept-3-en-2-one, RefChem:347126
| Molecular Formula | C13H22O3 |
|---|---|
| Molecular Weight | 226.16 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 226.15689 |
| Heavy Atoms | 16 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 56055-62-0 |
|---|---|
| SMILES | CCCC(=CC(=O)CC1OCCO1)CCC |
| InChIKey | OLXZYZHHDDGGQC-UHFFFAOYSA-N |
Product Overview
Hept-3-en-2-one, 1-(1,3-dioxolan-2-yl)-4-propyl- (CAS 56055-62-0), with molecular formula C13H22O3 and molecular weight 226.16 g/mol. IUPAC: 1-(1,3-dioxolan-2-yl)-4-propylhept-3-en-2-one.
Chemical Property Profile of Hept-3-en-2-one, 1-(1,3-dioxolan-2-yl)-4-propyl-
Property Insights of Hept-3-en-2-one, 1-(1,3-dioxolan-2-yl)-4-propyl-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hept-3-en-2-one, 1-(1,3-dioxolan-2-yl)-4-propyl-. With a topological polar surface area (TPSA) of 35.5 Ų, Hept-3-en-2-one, 1-(1,3-dioxolan-2-yl)-4-propyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hept-3-en-2-one, 1-(1,3-dioxolan-2-yl)-4-propyl- 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 Hept-3-en-2-one, 1-(1,3-dioxolan-2-yl)-4-propyl-?
The CAS number of Hept-3-en-2-one, 1-(1,3-dioxolan-2-yl)-4-propyl- is 56055-62-0.
What is the molecular formula of Hept-3-en-2-one, 1-(1,3-dioxolan-2-yl)-4-propyl-?
The molecular formula of Hept-3-en-2-one, 1-(1,3-dioxolan-2-yl)-4-propyl- is C13H22O3.
What is the molecular weight of Hept-3-en-2-one, 1-(1,3-dioxolan-2-yl)-4-propyl-?
The molecular weight of Hept-3-en-2-one, 1-(1,3-dioxolan-2-yl)-4-propyl- is 226.16 g/mol.
Where can I buy Hept-3-en-2-one, 1-(1,3-dioxolan-2-yl)-4-propyl-?
You can request a quote for Hept-3-en-2-one, 1-(1,3-dioxolan-2-yl)-4-propyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hept-3-en-2-one, 1-(1,3-dioxolan-2-yl)-4-propyl-?
Yes, KEHONG BIO provides custom synthesis services for Hept-3-en-2-one, 1-(1,3-dioxolan-2-yl)-4-propyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.