Tetrahydrobenzo-4,6-dimethylangelicin
TL;DR: Tetrahydrobenzo-4,6-dimethylangelicin (CAS 109029-03-0) is a chemical compound with molecular formula C17H16O3 and molecular weight 268.10995 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,6-dimethyl-8,9,10,11-tetrahydro-[1]benzofuro[2,3-h]chromen-2-one
Also Known As: THBA, Tetrahydrobenzo-4,6-dimethylangelicin, 4,6-dimethyltetrahydrobenzoangelicin, 4,6-dimethyl-8,9,10,11-tetrahydro-[1]benzofuro[2,3-h]chromen-2-one, 8,9,10,11-Tetrahydro-4,6-dimethyl-2H-benzofuro(2,3-h)(1)benzopyran-2-one
Technical Specifications
| Molecular Formula | C17H16O3 |
| Molecular Weight | 268.10995 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 39.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 268.10995 Da |
| Heavy Atoms | 20 |
| Complexity | 455.0 |
| SMILES | CC1=CC2=C(C3=C1OC4=C3CCCC4)OC(=O)C=C2C |
| InChIKey | PDLIOFGQZOFSJT-UHFFFAOYSA-N |
Chemical Property Profile of Tetrahydrobenzo-4,6-dimethylangelicin
Property Insights of Tetrahydrobenzo-4,6-dimethylangelicin
The XLogP value of 3.8 indicates that Tetrahydrobenzo-4,6-dimethylangelicin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.4 Ų, Tetrahydrobenzo-4,6-dimethylangelicin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tetrahydrobenzo-4,6-dimethylangelicin has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Tetrahydrobenzo-4,6-dimethylangelicin?
The CAS number of Tetrahydrobenzo-4,6-dimethylangelicin is 109029-03-0.
What is the molecular formula of Tetrahydrobenzo-4,6-dimethylangelicin?
The molecular formula of Tetrahydrobenzo-4,6-dimethylangelicin is C17H16O3.
What is the molecular weight of Tetrahydrobenzo-4,6-dimethylangelicin?
The molecular weight of Tetrahydrobenzo-4,6-dimethylangelicin is 268.10995 g/mol.
Where can I buy Tetrahydrobenzo-4,6-dimethylangelicin?
You can request a quote for Tetrahydrobenzo-4,6-dimethylangelicin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Tetrahydrobenzo-4,6-dimethylangelicin?
Yes, CoreyChem provides custom synthesis services for Tetrahydrobenzo-4,6-dimethylangelicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.