1-Acetoxymethylpyrene
TL;DR: 1-Acetoxymethylpyrene (CAS 105708-79-0) is a chemical compound with molecular formula C19H14O2 and molecular weight 274.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pyren-1-ylmethyl acetate
Also Known As: 1-Acetoxymethylpyrene, pyren-1-ylmethyl acetate, 1-(Acetoxymethyl)pyrene, 1-Pyrenemethanol acetate, 1-Pyrenemethanol, 1-acetate
| Molecular Formula | C19H14O2 |
|---|---|
| Molecular Weight | 274.10 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 274.09937 |
| Heavy Atoms | 21 |
| Complexity | 404.0 |
Chemical Identifiers
| CAS Number | 105708-79-0 |
|---|---|
| SMILES | CC(=O)OCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1 |
| InChIKey | LMVILOHJDARIKK-UHFFFAOYSA-N |
Product Overview
1-Acetoxymethylpyrene (CAS 105708-79-0), with molecular formula C19H14O2 and molecular weight 274.10 g/mol. IUPAC: pyren-1-ylmethyl acetate.
Chemical Property Profile of 1-Acetoxymethylpyrene
Property Insights of 1-Acetoxymethylpyrene
The XLogP value of 4.7 indicates that 1-Acetoxymethylpyrene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 1-Acetoxymethylpyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Acetoxymethylpyrene has 0 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-Acetoxymethylpyrene?
The CAS number of 1-Acetoxymethylpyrene is 105708-79-0.
What is the molecular formula of 1-Acetoxymethylpyrene?
The molecular formula of 1-Acetoxymethylpyrene is C19H14O2.
What is the molecular weight of 1-Acetoxymethylpyrene?
The molecular weight of 1-Acetoxymethylpyrene is 274.10 g/mol.
Where can I buy 1-Acetoxymethylpyrene?
You can request a quote for 1-Acetoxymethylpyrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Acetoxymethylpyrene?
Yes, KEHONG BIO provides custom synthesis services for 1-Acetoxymethylpyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.