1-Pyrenylmethyl dodecanoate
TL;DR: 1-Pyrenylmethyl dodecanoate (CAS 124252-59-1) is a chemical compound with molecular formula C29H34O2 and molecular weight 414.2559 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
pyren-1-ylmethyl dodecanoate
Also Known As: Pyrenemethyl laurate, PMLes, Pyrene-methyl lauryl ester, 1-Pyrenylmethyl dodecanoate, pyren-1-ylmethyl dodecanoate
Technical Specifications
| Molecular Formula | C29H34O2 |
| Molecular Weight | 414.2559 g/mol |
| XLogP | 9.9 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 13 |
| Exact Mass | 414.2559 Da |
| Heavy Atoms | 31 |
| Complexity | 543.0 |
| SMILES | CCCCCCCCCCCC(=O)OCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1 |
| InChIKey | QVQHBTBYPGOZLP-UHFFFAOYSA-N |
Chemical Property Profile of 1-Pyrenylmethyl dodecanoate
Property Insights of 1-Pyrenylmethyl dodecanoate
The XLogP value of 9.9 indicates that 1-Pyrenylmethyl dodecanoate 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-Pyrenylmethyl dodecanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Pyrenylmethyl dodecanoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1-Pyrenylmethyl dodecanoate?
The CAS number of 1-Pyrenylmethyl dodecanoate is 124252-59-1.
What is the molecular formula of 1-Pyrenylmethyl dodecanoate?
The molecular formula of 1-Pyrenylmethyl dodecanoate is C29H34O2.
What is the molecular weight of 1-Pyrenylmethyl dodecanoate?
The molecular weight of 1-Pyrenylmethyl dodecanoate is 414.2559 g/mol.
Where can I buy 1-Pyrenylmethyl dodecanoate?
You can request a quote for 1-Pyrenylmethyl dodecanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Pyrenylmethyl dodecanoate?
Yes, CoreyChem provides custom synthesis services for 1-Pyrenylmethyl dodecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.