Secophenol
TL;DR: Secophenol (CAS 27826-74-0) is a chemical compound with molecular formula C19H24O3 and molecular weight 300.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(5-hydroxy-2-methylphenyl)ethyl]-7a-methyl-2,3,3a,4,6,7-hexahydroindene-1,5-dione
Also Known As: Secophenol, Potassium perfluorooctanoate, 4-[2-(5-hydroxy-2-methylphenyl)ethyl]-7a-methyl-2,3,3a,4,6,7-hexahydroindene-1,5-dione, 4-[2-(5-hydroxy-2-methylphenyl)ethyl]-7a-methylhexahydro-1H-indene-1,5(4H)-dione, 1H-Indene-1,5(4H)-dione,hexahydro-5-[2-(5-hydroxy-2-methylphenyl)ethyl]-7a-methyl- (9CI)
| Molecular Formula | C19H24O3 |
|---|---|
| Molecular Weight | 300.17 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.17255 |
| Heavy Atoms | 22 |
| Complexity | 458.0 |
Chemical Identifiers
| CAS Number | 27826-74-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)O)CCC2C3CCC(=O)C3(CCC2=O)C |
| InChIKey | ZWXONJFCJAGEBA-UHFFFAOYSA-N |
Product Overview
Secophenol (CAS 27826-74-0), with molecular formula C19H24O3 and molecular weight 300.17 g/mol. IUPAC: 4-[2-(5-hydroxy-2-methylphenyl)ethyl]-7a-methyl-2,3,3a,4,6,7-hexahydroindene-1,5-dione.
Chemical Property Profile of Secophenol
Property Insights of Secophenol
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Secophenol. With a topological polar surface area (TPSA) of 54.4 Ų, Secophenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Secophenol 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 Secophenol?
The CAS number of Secophenol is 27826-74-0.
What is the molecular formula of Secophenol?
The molecular formula of Secophenol is C19H24O3.
What is the molecular weight of Secophenol?
The molecular weight of Secophenol is 300.17 g/mol.
Where can I buy Secophenol?
You can request a quote for Secophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Secophenol?
Yes, KEHONG BIO provides custom synthesis services for Secophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.