(3R)-8-hydroxy-3-tridecyl-3,4-dihydro-1H-2-benzopyran-1-one
TL;DR: (3R)-8-hydroxy-3-tridecyl-3,4-dihydro-1H-2-benzopyran-1-one (CAS 158627-93-1) is a chemical compound with molecular formula C22H34O3 and molecular weight 346.2508 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3R)-8-hydroxy-3-tridecyl-3,4-dihydroisochromen-1-one
Also Known As: (3S)-8-hydroxy-3-tridecyl-isochroman-1-one, J2.480.348A, (3R)-3-Tridecyl-8-hydroxy-3,4-dihydro-1H-2-benzopyran-1-one, (3R)-8-hydroxy-3-tridecyl-3,4-dihydro-1H-2-benzopyran-1-one, (3R)-3,4-Dihydro-8-hydroxy-3-tridecyl-1H-2-benzopyran-1-one
Technical Specifications
| Molecular Formula | C22H34O3 |
| Molecular Weight | 346.2508 g/mol |
| XLogP | 8.7 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 346.2508 Da |
| Heavy Atoms | 25 |
| Complexity | 368.0 |
| SMILES | CCCCCCCCCCCCC[C@@H]1CC2=C(C(=CC=C2)O)C(=O)O1 |
| InChIKey | GEFWCROCDVGECH-LJQANCHMSA-N |
Chemical Property Profile of (3R)-8-hydroxy-3-tridecyl-3,4-dihydro-1H-2-benzopyran-1-one
Property Insights of (3R)-8-hydroxy-3-tridecyl-3,4-dihydro-1H-2-benzopyran-1-one
The XLogP value of 8.7 indicates that (3R)-8-hydroxy-3-tridecyl-3,4-dihydro-1H-2-benzopyran-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, (3R)-8-hydroxy-3-tridecyl-3,4-dihydro-1H-2-benzopyran-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3R)-8-hydroxy-3-tridecyl-3,4-dihydro-1H-2-benzopyran-1-one has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of (3R)-8-hydroxy-3-tridecyl-3,4-dihydro-1H-2-benzopyran-1-one?
The CAS number of (3R)-8-hydroxy-3-tridecyl-3,4-dihydro-1H-2-benzopyran-1-one is 158627-93-1.
What is the molecular formula of (3R)-8-hydroxy-3-tridecyl-3,4-dihydro-1H-2-benzopyran-1-one?
The molecular formula of (3R)-8-hydroxy-3-tridecyl-3,4-dihydro-1H-2-benzopyran-1-one is C22H34O3.
What is the molecular weight of (3R)-8-hydroxy-3-tridecyl-3,4-dihydro-1H-2-benzopyran-1-one?
The molecular weight of (3R)-8-hydroxy-3-tridecyl-3,4-dihydro-1H-2-benzopyran-1-one is 346.2508 g/mol.
Where can I buy (3R)-8-hydroxy-3-tridecyl-3,4-dihydro-1H-2-benzopyran-1-one?
You can request a quote for (3R)-8-hydroxy-3-tridecyl-3,4-dihydro-1H-2-benzopyran-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3R)-8-hydroxy-3-tridecyl-3,4-dihydro-1H-2-benzopyran-1-one?
Yes, CoreyChem provides custom synthesis services for (3R)-8-hydroxy-3-tridecyl-3,4-dihydro-1H-2-benzopyran-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.