2-Tert-butylphenanthrene
TL;DR: 2-Tert-butylphenanthrene (CAS 77036-53-4) is a chemical compound with molecular formula C18H18 and molecular weight 234.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butylphenanthrene
Also Known As: 2-tert-butylphenanthrene, Phenanthrene, 2-(1,1-dimethylethyl)-, Phenanthrene,2-(1,1-dimethylethyl), Phenanthrene,2-(1,1-dimethylethyl)-
| Molecular Formula | C18H18 |
|---|---|
| Molecular Weight | 234.14 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 234.14085 |
| Heavy Atoms | 18 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 77036-53-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC2=C(C=C1)C3=CC=CC=C3C=C2 |
| InChIKey | OKOZVRRHEIEQOV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Tert-butylphenanthrene (CAS 77036-53-4), with molecular formula C18H18 and molecular weight 234.14 g/mol. IUPAC: 2-tert-butylphenanthrene.
Chemical Property Profile of 2-Tert-butylphenanthrene
Property Insights of 2-Tert-butylphenanthrene
The XLogP value of 6.5 indicates that 2-Tert-butylphenanthrene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2-Tert-butylphenanthrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Tert-butylphenanthrene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Tert-butylphenanthrene?
The CAS number of 2-Tert-butylphenanthrene is 77036-53-4.
What is the molecular formula of 2-Tert-butylphenanthrene?
The molecular formula of 2-Tert-butylphenanthrene is C18H18.
What is the molecular weight of 2-Tert-butylphenanthrene?
The molecular weight of 2-Tert-butylphenanthrene is 234.14 g/mol.
Where can I buy 2-Tert-butylphenanthrene?
You can request a quote for 2-Tert-butylphenanthrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Tert-butylphenanthrene?
Yes, KEHONG BIO provides custom synthesis services for 2-Tert-butylphenanthrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.