Tetrahydroactinidiolide
TL;DR: Tetrahydroactinidiolide (CAS 16778-27-1) is a chemical compound with molecular formula C11H18O2 and molecular weight 182.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4,7a-trimethyl-3a,5,6,7-tetrahydro-3H-1-benzofuran-2-one
Also Known As: Tetrahydroactinidiolide, 2(3H)-Benzofuranone, hexahydro-4,4,7a-trimethyl-, Hexahydro-4,4,7a-trimethyl-2-benzofuranone, 4,4,7a-trimethyl-3a,5,6,7-tetrahydro-3H-1-benzofuran-2-one, 4,4,7a-trimethylhexahydrobenzofuran-2(3H)-one
| Molecular Formula | C11H18O2 |
|---|---|
| Molecular Weight | 182.13 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 182.13068 |
| Heavy Atoms | 13 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 16778-27-1 |
|---|---|
| SMILES | CC1(CCCC2(C1CC(=O)O2)C)C |
| InChIKey | IGSYVKHPYSDDQD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tetrahydroactinidiolide (CAS 16778-27-1), with molecular formula C11H18O2 and molecular weight 182.13 g/mol. IUPAC: 4,4,7a-trimethyl-3a,5,6,7-tetrahydro-3H-1-benzofuran-2-one.
Chemical Property Profile of Tetrahydroactinidiolide
Property Insights of Tetrahydroactinidiolide
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tetrahydroactinidiolide. With a topological polar surface area (TPSA) of 26.3 Ų, Tetrahydroactinidiolide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tetrahydroactinidiolide 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 Tetrahydroactinidiolide?
The CAS number of Tetrahydroactinidiolide is 16778-27-1.
What is the molecular formula of Tetrahydroactinidiolide?
The molecular formula of Tetrahydroactinidiolide is C11H18O2.
What is the molecular weight of Tetrahydroactinidiolide?
The molecular weight of Tetrahydroactinidiolide is 182.13 g/mol.
Where can I buy Tetrahydroactinidiolide?
You can request a quote for Tetrahydroactinidiolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetrahydroactinidiolide?
Yes, KEHONG BIO provides custom synthesis services for Tetrahydroactinidiolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.