2-Phenanthreneethanol, beta-methyl-
TL;DR: 2-Phenanthreneethanol, beta-methyl- (CAS 53376-31-1) is a chemical compound with molecular formula C17H16O and molecular weight 236.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenanthren-2-ylpropan-1-ol
Also Known As: beta-Methyl-2-phenanthreneethanol, 2-(2-phenanthryl)propan-1-ol, 2'-Phenanthryl-2-propan-1-ol, Propanol, 2-(2-phenanthryl)-, 2-Phenanthreneethanol, beta-methyl-
| Molecular Formula | C17H16O |
|---|---|
| Molecular Weight | 236.12 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.12012 |
| Heavy Atoms | 18 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 53376-31-1 |
|---|---|
| SMILES | CC(CO)C1=CC2=C(C=C1)C3=CC=CC=C3C=C2 |
| InChIKey | RMMMEPSVCACSHE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Phenanthreneethanol, beta-methyl- (CAS 53376-31-1), with molecular formula C17H16O and molecular weight 236.12 g/mol. IUPAC: 2-phenanthren-2-ylpropan-1-ol.
Chemical Property Profile of 2-Phenanthreneethanol, beta-methyl-
Property Insights of 2-Phenanthreneethanol, beta-methyl-
The XLogP value of 4.7 indicates that 2-Phenanthreneethanol, beta-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 2-Phenanthreneethanol, beta-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenanthreneethanol, beta-methyl- has 1 hydrogen bond donor(s) and 1 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 2-Phenanthreneethanol, beta-methyl-?
The CAS number of 2-Phenanthreneethanol, beta-methyl- is 53376-31-1.
What is the molecular formula of 2-Phenanthreneethanol, beta-methyl-?
The molecular formula of 2-Phenanthreneethanol, beta-methyl- is C17H16O.
What is the molecular weight of 2-Phenanthreneethanol, beta-methyl-?
The molecular weight of 2-Phenanthreneethanol, beta-methyl- is 236.12 g/mol.
Where can I buy 2-Phenanthreneethanol, beta-methyl-?
You can request a quote for 2-Phenanthreneethanol, beta-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phenanthreneethanol, beta-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenanthreneethanol, beta-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.