1,4,5-Trimethylphenanthrene
TL;DR: 1,4,5-Trimethylphenanthrene (CAS 66271-47-4) is a chemical compound with molecular formula C17H16 and molecular weight 220.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4,5-trimethylphenanthrene
Also Known As: 1,4,5-trimethylphenanthrene, Phenanthrene,4,5-trimethyl-, Cc1ccc(C)c2ccc3cccc(C)c3c12, Phenanthrene, 1,4,5-trimethyl-
| Molecular Formula | C17H16 |
|---|---|
| Molecular Weight | 220.13 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 220.1252 |
| Heavy Atoms | 17 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 66271-47-4 |
|---|---|
| SMILES | CC1=C2C(=CC=C1)C=CC3=C(C=CC(=C32)C)C |
| InChIKey | ZPVMMYYWEOIYFV-UHFFFAOYSA-N |
Product Overview
1,4,5-Trimethylphenanthrene (CAS 66271-47-4), with molecular formula C17H16 and molecular weight 220.13 g/mol. IUPAC: 1,4,5-trimethylphenanthrene.
Chemical Property Profile of 1,4,5-Trimethylphenanthrene
Property Insights of 1,4,5-Trimethylphenanthrene
The XLogP value of 6.1 indicates that 1,4,5-Trimethylphenanthrene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,4,5-Trimethylphenanthrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4,5-Trimethylphenanthrene 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 1,4,5-Trimethylphenanthrene?
The CAS number of 1,4,5-Trimethylphenanthrene is 66271-47-4.
What is the molecular formula of 1,4,5-Trimethylphenanthrene?
The molecular formula of 1,4,5-Trimethylphenanthrene is C17H16.
What is the molecular weight of 1,4,5-Trimethylphenanthrene?
The molecular weight of 1,4,5-Trimethylphenanthrene is 220.13 g/mol.
Where can I buy 1,4,5-Trimethylphenanthrene?
You can request a quote for 1,4,5-Trimethylphenanthrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4,5-Trimethylphenanthrene?
Yes, KEHONG BIO provides custom synthesis services for 1,4,5-Trimethylphenanthrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.