Thc-9-one
TL;DR: Thc-9-one (CAS 16964-48-0) is a chemical compound with molecular formula C20H28O3 and molecular weight 316.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-hydroxy-6,6-dimethyl-3-pentyl-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-9-one
Also Known As: Thc-9-one, 6a,7,10,10a-Tetrahydro-1-hydroxy-6,6-dimethyl-3-pentyl-6H-dibenzo(b,d)pyran-9(8H)-one, 1-hydroxy-6,6-dimethyl-3-pentyl-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-9-one, 1-Hydroxy-6,6-dimethyl-3-pentyl-6,6a,7,8,10,10a-hexahydro-9H-dibenzo[b,d]pyran-9-one, 9H-Dibenzo(b,d)pyran-9-one, 6,6a,7,8,10,10a-hexahydro-1-hydroxy-6,6-dimethyl-3-pentyl-, trans-(+-)-
| Molecular Formula | C20H28O3 |
|---|---|
| Molecular Weight | 316.20 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 316.20386 |
| Heavy Atoms | 23 |
| Complexity | 431.0 |
Chemical Identifiers
| CAS Number | 16964-48-0 |
|---|---|
| SMILES | CCCCCC1=CC(=C2C3CC(=O)CCC3C(OC2=C1)(C)C)O |
| InChIKey | YHIZWEDKQCYPIV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Thc-9-one (CAS 16964-48-0), with molecular formula C20H28O3 and molecular weight 316.20 g/mol. IUPAC: 1-hydroxy-6,6-dimethyl-3-pentyl-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-9-one.
Chemical Property Profile of Thc-9-one
Property Insights of Thc-9-one
The XLogP value of 5.7 indicates that Thc-9-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, Thc-9-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thc-9-one has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Thc-9-one?
The CAS number of Thc-9-one is 16964-48-0.
What is the molecular formula of Thc-9-one?
The molecular formula of Thc-9-one is C20H28O3.
What is the molecular weight of Thc-9-one?
The molecular weight of Thc-9-one is 316.20 g/mol.
Where can I buy Thc-9-one?
You can request a quote for Thc-9-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thc-9-one?
Yes, KEHONG BIO provides custom synthesis services for Thc-9-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.