Octahydro-2,5,5,8a-tetramethyl-7H-1-benzopyran-7-one
TL;DR: Octahydro-2,5,5,8a-tetramethyl-7H-1-benzopyran-7-one (CAS 5835-18-7) is a chemical compound with molecular formula C13H22O2 and molecular weight 210.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5,5,8a-tetramethyl-2,3,4,4a,6,8-hexahydrochromen-7-one
Also Known As: Tetrahydro-3-oxoedulan, Octahydro-2,5,5,8a-tetramethyl-7H-1-benzopyran-7-one, Hexahydro-2,5,5,8a-tetramethyl-7-chromanone, 1,3,7,7-Tetramethyl-9-oxo-2-oxabicyclo[4.4.0]decane, 2,5,5,8a-tetramethyl-2,3,4,4a,6,8-hexahydrochromen-7-one
| Molecular Formula | C13H22O2 |
|---|---|
| Molecular Weight | 210.16 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 210.16199 |
| Heavy Atoms | 15 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 5835-18-7 |
|---|---|
| SMILES | CC1CCC2C(CC(=O)CC2(O1)C)(C)C |
| InChIKey | VXIZSNZJQJVFMK-UHFFFAOYSA-N |
Product Overview
Octahydro-2,5,5,8a-tetramethyl-7H-1-benzopyran-7-one (CAS 5835-18-7), with molecular formula C13H22O2 and molecular weight 210.16 g/mol. IUPAC: 2,5,5,8a-tetramethyl-2,3,4,4a,6,8-hexahydrochromen-7-one.
Chemical Property Profile of Octahydro-2,5,5,8a-tetramethyl-7H-1-benzopyran-7-one
Property Insights of Octahydro-2,5,5,8a-tetramethyl-7H-1-benzopyran-7-one
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Octahydro-2,5,5,8a-tetramethyl-7H-1-benzopyran-7-one. With a topological polar surface area (TPSA) of 26.3 Ų, Octahydro-2,5,5,8a-tetramethyl-7H-1-benzopyran-7-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octahydro-2,5,5,8a-tetramethyl-7H-1-benzopyran-7-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 Octahydro-2,5,5,8a-tetramethyl-7H-1-benzopyran-7-one?
The CAS number of Octahydro-2,5,5,8a-tetramethyl-7H-1-benzopyran-7-one is 5835-18-7.
What is the molecular formula of Octahydro-2,5,5,8a-tetramethyl-7H-1-benzopyran-7-one?
The molecular formula of Octahydro-2,5,5,8a-tetramethyl-7H-1-benzopyran-7-one is C13H22O2.
What is the molecular weight of Octahydro-2,5,5,8a-tetramethyl-7H-1-benzopyran-7-one?
The molecular weight of Octahydro-2,5,5,8a-tetramethyl-7H-1-benzopyran-7-one is 210.16 g/mol.
Where can I buy Octahydro-2,5,5,8a-tetramethyl-7H-1-benzopyran-7-one?
You can request a quote for Octahydro-2,5,5,8a-tetramethyl-7H-1-benzopyran-7-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octahydro-2,5,5,8a-tetramethyl-7H-1-benzopyran-7-one?
Yes, KEHONG BIO provides custom synthesis services for Octahydro-2,5,5,8a-tetramethyl-7H-1-benzopyran-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.