Phenol, 3-(1-methyl-3a-hexahydroindolinyl)-
TL;DR: Phenol, 3-(1-methyl-3a-hexahydroindolinyl)- (CAS 73986-57-9) is a chemical compound with molecular formula C15H21NO and molecular weight 231.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-methyl-3,4,5,6,7,7a-hexahydro-2H-indol-3a-yl)phenol
Also Known As: 3-(1-Methyl-3a-hexahydroindolinyl)phenol, Phenol, 3-(1-methyl-3a-hexahydroindolinyl)-, 3-(1-Methylhexahydroindolin-3a-yl)phenol, 3-(1-Methyloctahydro-3aH-indol-3a-yl)phenol, 5-21-03-00133 (Beilstein Handbook Reference)
| Molecular Formula | C15H21NO |
|---|---|
| Molecular Weight | 231.16 g/mol |
| LogP | 2.9081 |
| Topological Polar Surface Area | 23.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 231.16231 |
| Heavy Atoms | 17 |
| Complexity | 413.1378 |
Chemical Identifiers
| CAS Number | 73986-57-9 |
|---|---|
| SMILES | CN1CCC2(C1CCCC2)C3=CC(=CC=C3)O |
Product Overview
Phenol, 3-(1-methyl-3a-hexahydroindolinyl)- (CAS 73986-57-9), with molecular formula C15H21NO and molecular weight 231.16 g/mol. IUPAC: 3-(1-methyl-3,4,5,6,7,7a-hexahydro-2H-indol-3a-yl)phenol.
Chemical Property Profile of Phenol, 3-(1-methyl-3a-hexahydroindolinyl)-
Property Insights of Phenol, 3-(1-methyl-3a-hexahydroindolinyl)-
The XLogP value of 2.9081 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenol, 3-(1-methyl-3a-hexahydroindolinyl)-. With a topological polar surface area (TPSA) of 23.47 Ų, Phenol, 3-(1-methyl-3a-hexahydroindolinyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenol, 3-(1-methyl-3a-hexahydroindolinyl)- has 1 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 Phenol, 3-(1-methyl-3a-hexahydroindolinyl)-?
The CAS number of Phenol, 3-(1-methyl-3a-hexahydroindolinyl)- is 73986-57-9.
What is the molecular formula of Phenol, 3-(1-methyl-3a-hexahydroindolinyl)-?
The molecular formula of Phenol, 3-(1-methyl-3a-hexahydroindolinyl)- is C15H21NO.
What is the molecular weight of Phenol, 3-(1-methyl-3a-hexahydroindolinyl)-?
The molecular weight of Phenol, 3-(1-methyl-3a-hexahydroindolinyl)- is 231.16 g/mol.
Where can I buy Phenol, 3-(1-methyl-3a-hexahydroindolinyl)-?
You can request a quote for Phenol, 3-(1-methyl-3a-hexahydroindolinyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, 3-(1-methyl-3a-hexahydroindolinyl)-?
Yes, KEHONG BIO provides custom synthesis services for Phenol, 3-(1-methyl-3a-hexahydroindolinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.