4,4,5,7-Tetramethylchroman-2-one
TL;DR: 4,4,5,7-Tetramethylchroman-2-one (CAS 40662-14-4) is a chemical compound with molecular formula C13H16O2 and molecular weight 204.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4,5,7-tetramethyl-3H-chromen-2-one
Also Known As: 4,4,5,7-tetramethylchroman-2-one, 4,4,5,7-Tetramethyl-2-chromanone, 4,4,5,7-tetramethyl-3H-chromen-2-one, 4,4,5,7-Tetramethyl-3,4-dihydrocoumarin, 4,4,5,7-Tetramethyl-2-chromanone #
| Molecular Formula | C13H16O2 |
|---|---|
| Molecular Weight | 204.12 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 204.11504 |
| Heavy Atoms | 15 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 40662-14-4 |
|---|---|
| SMILES | CC1=CC(=C2C(=C1)OC(=O)CC2(C)C)C |
| InChIKey | SZFAEJMEHIBRMS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4,5,7-Tetramethylchroman-2-one (CAS 40662-14-4), with molecular formula C13H16O2 and molecular weight 204.12 g/mol. IUPAC: 4,4,5,7-tetramethyl-3H-chromen-2-one.
Chemical Property Profile of 4,4,5,7-Tetramethylchroman-2-one
Property Insights of 4,4,5,7-Tetramethylchroman-2-one
The XLogP value of 3.2 indicates that 4,4,5,7-Tetramethylchroman-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 4,4,5,7-Tetramethylchroman-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4,5,7-Tetramethylchroman-2-one 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 4,4,5,7-Tetramethylchroman-2-one?
The CAS number of 4,4,5,7-Tetramethylchroman-2-one is 40662-14-4.
What is the molecular formula of 4,4,5,7-Tetramethylchroman-2-one?
The molecular formula of 4,4,5,7-Tetramethylchroman-2-one is C13H16O2.
What is the molecular weight of 4,4,5,7-Tetramethylchroman-2-one?
The molecular weight of 4,4,5,7-Tetramethylchroman-2-one is 204.12 g/mol.
Where can I buy 4,4,5,7-Tetramethylchroman-2-one?
You can request a quote for 4,4,5,7-Tetramethylchroman-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4,5,7-Tetramethylchroman-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4,4,5,7-Tetramethylchroman-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.