2-Propenal, 3-(1-(acetyloxy)-4-methyl-2-naphthalenyl)-
TL;DR: 2-Propenal, 3-(1-(acetyloxy)-4-methyl-2-naphthalenyl)- (CAS 96550-69-5) is a chemical compound with molecular formula C16H14O3 and molecular weight 254.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-methyl-2-[(E)-3-oxoprop-1-enyl]naphthalen-1-yl] acetate
Also Known As: 3-(1-(Acetyloxy)-4-methyl-2-naphthalenyl)-2-propenal, 2-Propenal, 3-(1-(acetyloxy)-4-methyl-2-naphthalenyl)-, [4-methyl-2-[(E)-3-oxoprop-1-enyl]naphthalen-1-yl] acetate, RefChem:1064434
| Molecular Formula | C16H14O3 |
|---|---|
| Molecular Weight | 254.09 g/mol |
| LogP | 3.28562 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.0943 |
| Heavy Atoms | 19 |
| Complexity | 668.9935 |
Chemical Identifiers
| CAS Number | 96550-69-5 |
|---|---|
| SMILES | CC1=CC(=C(C2=CC=CC=C12)OC(=O)C)/C=C/C=O |
Product Overview
2-Propenal, 3-(1-(acetyloxy)-4-methyl-2-naphthalenyl)- (CAS 96550-69-5), with molecular formula C16H14O3 and molecular weight 254.09 g/mol. IUPAC: [4-methyl-2-[(E)-3-oxoprop-1-enyl]naphthalen-1-yl] acetate.
Chemical Property Profile of 2-Propenal, 3-(1-(acetyloxy)-4-methyl-2-naphthalenyl)-
Property Insights of 2-Propenal, 3-(1-(acetyloxy)-4-methyl-2-naphthalenyl)-
The XLogP value of 3.28562 indicates that 2-Propenal, 3-(1-(acetyloxy)-4-methyl-2-naphthalenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, 2-Propenal, 3-(1-(acetyloxy)-4-methyl-2-naphthalenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenal, 3-(1-(acetyloxy)-4-methyl-2-naphthalenyl)- 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 2-Propenal, 3-(1-(acetyloxy)-4-methyl-2-naphthalenyl)-?
The CAS number of 2-Propenal, 3-(1-(acetyloxy)-4-methyl-2-naphthalenyl)- is 96550-69-5.
What is the molecular formula of 2-Propenal, 3-(1-(acetyloxy)-4-methyl-2-naphthalenyl)-?
The molecular formula of 2-Propenal, 3-(1-(acetyloxy)-4-methyl-2-naphthalenyl)- is C16H14O3.
What is the molecular weight of 2-Propenal, 3-(1-(acetyloxy)-4-methyl-2-naphthalenyl)-?
The molecular weight of 2-Propenal, 3-(1-(acetyloxy)-4-methyl-2-naphthalenyl)- is 254.09 g/mol.
Where can I buy 2-Propenal, 3-(1-(acetyloxy)-4-methyl-2-naphthalenyl)-?
You can request a quote for 2-Propenal, 3-(1-(acetyloxy)-4-methyl-2-naphthalenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenal, 3-(1-(acetyloxy)-4-methyl-2-naphthalenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenal, 3-(1-(acetyloxy)-4-methyl-2-naphthalenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.