6-Hydroxy-4,4,5,7,8-pentamethyl-3,4-dihydrocoumarin
TL;DR: 6-Hydroxy-4,4,5,7,8-pentamethyl-3,4-dihydrocoumarin (CAS 40662-76-8) is a chemical compound with molecular formula C14H18O3 and molecular weight 234.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hydroxy-4,4,5,7,8-pentamethyl-3H-chromen-2-one
Also Known As: 6-hydroxy-4,4,5,7,8-pentamethylchroman-2-one, 6-hydroxy-4,4,5,7,8-pentamethyl-3,4-dihydrocoumarin, 6-hydroxy-4,4,5,7,8-pentamethyl-3H-chromen-2-one, Dihydrocoumarin-6-ol, 4,4,5,7,8-pentamethyl-, 6-hydroxy-4,4,5,7,8-pentamethyl-3,4-dihydro-2H-1-benzopyran-2-one
| Molecular Formula | C14H18O3 |
|---|---|
| Molecular Weight | 234.13 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 234.1256 |
| Heavy Atoms | 17 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 40662-76-8 |
|---|---|
| SMILES | CC1=C(C2=C(C(=C1O)C)C(CC(=O)O2)(C)C)C |
| InChIKey | NWBXBARTRIEVKH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Hydroxy-4,4,5,7,8-pentamethyl-3,4-dihydrocoumarin (CAS 40662-76-8), with molecular formula C14H18O3 and molecular weight 234.13 g/mol. IUPAC: 6-hydroxy-4,4,5,7,8-pentamethyl-3H-chromen-2-one.
Chemical Property Profile of 6-Hydroxy-4,4,5,7,8-pentamethyl-3,4-dihydrocoumarin
Property Insights of 6-Hydroxy-4,4,5,7,8-pentamethyl-3,4-dihydrocoumarin
The XLogP value of 3.3 indicates that 6-Hydroxy-4,4,5,7,8-pentamethyl-3,4-dihydrocoumarin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 6-Hydroxy-4,4,5,7,8-pentamethyl-3,4-dihydrocoumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Hydroxy-4,4,5,7,8-pentamethyl-3,4-dihydrocoumarin has 1 hydrogen bond donor(s) and 3 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 6-Hydroxy-4,4,5,7,8-pentamethyl-3,4-dihydrocoumarin?
The CAS number of 6-Hydroxy-4,4,5,7,8-pentamethyl-3,4-dihydrocoumarin is 40662-76-8.
What is the molecular formula of 6-Hydroxy-4,4,5,7,8-pentamethyl-3,4-dihydrocoumarin?
The molecular formula of 6-Hydroxy-4,4,5,7,8-pentamethyl-3,4-dihydrocoumarin is C14H18O3.
What is the molecular weight of 6-Hydroxy-4,4,5,7,8-pentamethyl-3,4-dihydrocoumarin?
The molecular weight of 6-Hydroxy-4,4,5,7,8-pentamethyl-3,4-dihydrocoumarin is 234.13 g/mol.
Where can I buy 6-Hydroxy-4,4,5,7,8-pentamethyl-3,4-dihydrocoumarin?
You can request a quote for 6-Hydroxy-4,4,5,7,8-pentamethyl-3,4-dihydrocoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Hydroxy-4,4,5,7,8-pentamethyl-3,4-dihydrocoumarin?
Yes, KEHONG BIO provides custom synthesis services for 6-Hydroxy-4,4,5,7,8-pentamethyl-3,4-dihydrocoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.