3-Octadecanoylumbelliferone
TL;DR: 3-Octadecanoylumbelliferone (CAS 164720-09-6) is a chemical compound with molecular formula C27H40O4 and molecular weight 428.29266 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-hydroxy-3-octadecanoylchromen-2-one
Also Known As: 3-Octadecanoylumbelliferone, starbld0007672, 7-Hydroxy-3-octadecanoylcoumarin, 7-hydroxy-3-octadecanoylchromen-2-one, 7-Hydroxy-3-stearoyl-2H-chromen-2-one
Technical Specifications
| Molecular Formula | C27H40O4 |
| Molecular Weight | 428.29266 g/mol |
| XLogP | 9.9 |
| Topological Polar Surface Area (TPSA) | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 17 |
| Exact Mass | 428.29266 Da |
| Heavy Atoms | 31 |
| Complexity | 553.0 |
| SMILES | CCCCCCCCCCCCCCCCCC(=O)C1=CC2=C(C=C(C=C2)O)OC1=O |
| InChIKey | NNZHEAMUDYOTCO-UHFFFAOYSA-N |
Chemical Property Profile of 3-Octadecanoylumbelliferone
Property Insights of 3-Octadecanoylumbelliferone
The XLogP value of 9.9 indicates that 3-Octadecanoylumbelliferone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Octadecanoylumbelliferone. Following Lipinski's Rule of Five, 3-Octadecanoylumbelliferone has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3-Octadecanoylumbelliferone?
The CAS number of 3-Octadecanoylumbelliferone is 164720-09-6.
What is the molecular formula of 3-Octadecanoylumbelliferone?
The molecular formula of 3-Octadecanoylumbelliferone is C27H40O4.
What is the molecular weight of 3-Octadecanoylumbelliferone?
The molecular weight of 3-Octadecanoylumbelliferone is 428.29266 g/mol.
Where can I buy 3-Octadecanoylumbelliferone?
You can request a quote for 3-Octadecanoylumbelliferone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Octadecanoylumbelliferone?
Yes, CoreyChem provides custom synthesis services for 3-Octadecanoylumbelliferone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.