(E)-1-(1-adamantyl)-3-(1,3-benzodioxol-5-yl)prop-2-en-1-one
TL;DR: (E)-1-(1-adamantyl)-3-(1,3-benzodioxol-5-yl)prop-2-en-1-one (CAS 404916-34-3) is a chemical compound with molecular formula C20H22O3 and molecular weight 310.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-(1-adamantyl)-3-(1,3-benzodioxol-5-yl)prop-2-en-1-one
Also Known As: (E)-1-(1-adamantyl)-3-(1,3-benzodioxol-5-yl)prop-2-en-1-one, (2E)-3-(1,3-benzodioxol-5-yl)-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)prop-2-en-1-one, (E)-1-((3r,5r,7r)-adamantan-1-yl)-3-(benzo[d][1,3]dioxol-5-yl)prop-2-en-1-one
| Molecular Formula | C20H22O3 |
|---|---|
| Molecular Weight | 310.16 g/mol |
| LogP | 4.214 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 310.1569 |
| Heavy Atoms | 23 |
| Complexity | 652.843 |
Chemical Identifiers
| CAS Number | 404916-34-3 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C(=O)/C=C/C4=CC5=C(C=C4)OCO5 |
Product Overview
(E)-1-(1-adamantyl)-3-(1,3-benzodioxol-5-yl)prop-2-en-1-one (CAS 404916-34-3), with molecular formula C20H22O3 and molecular weight 310.16 g/mol. IUPAC: (E)-1-(1-adamantyl)-3-(1,3-benzodioxol-5-yl)prop-2-en-1-one.
Chemical Property Profile of (E)-1-(1-adamantyl)-3-(1,3-benzodioxol-5-yl)prop-2-en-1-one
Property Insights of (E)-1-(1-adamantyl)-3-(1,3-benzodioxol-5-yl)prop-2-en-1-one
The XLogP value of 4.214 indicates that (E)-1-(1-adamantyl)-3-(1,3-benzodioxol-5-yl)prop-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, (E)-1-(1-adamantyl)-3-(1,3-benzodioxol-5-yl)prop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-1-(1-adamantyl)-3-(1,3-benzodioxol-5-yl)prop-2-en-1-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 (E)-1-(1-adamantyl)-3-(1,3-benzodioxol-5-yl)prop-2-en-1-one?
The CAS number of (E)-1-(1-adamantyl)-3-(1,3-benzodioxol-5-yl)prop-2-en-1-one is 404916-34-3.
What is the molecular formula of (E)-1-(1-adamantyl)-3-(1,3-benzodioxol-5-yl)prop-2-en-1-one?
The molecular formula of (E)-1-(1-adamantyl)-3-(1,3-benzodioxol-5-yl)prop-2-en-1-one is C20H22O3.
What is the molecular weight of (E)-1-(1-adamantyl)-3-(1,3-benzodioxol-5-yl)prop-2-en-1-one?
The molecular weight of (E)-1-(1-adamantyl)-3-(1,3-benzodioxol-5-yl)prop-2-en-1-one is 310.16 g/mol.
Where can I buy (E)-1-(1-adamantyl)-3-(1,3-benzodioxol-5-yl)prop-2-en-1-one?
You can request a quote for (E)-1-(1-adamantyl)-3-(1,3-benzodioxol-5-yl)prop-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-1-(1-adamantyl)-3-(1,3-benzodioxol-5-yl)prop-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-1-(1-adamantyl)-3-(1,3-benzodioxol-5-yl)prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.