Phentolacin
TL;DR: Phentolacin (CAS 7443-17-6) is a chemical compound with molecular formula C24H18O3 and molecular weight 354.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-methylphenyl)-2-phenylacetyl]indene-1,3-dione
Also Known As: Phentolacin, 2-[2-(4-methylphenyl)-2-phenylacetyl]indene-1,3-dione, 2-((4-Methylphenyl)phenylacetyl)-1H-indene-1,3(2H)-dione, 1,3-Indandione, 2-(alpha-phenyl-alpha-(p-tolyl))acetyl-, 1H-Inden-1,3(2H)-dione, 2-((4-methylphenyl)phenylacetyl)-
| Molecular Formula | C24H18O3 |
|---|---|
| Molecular Weight | 354.13 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 51.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 354.12558 |
| Heavy Atoms | 27 |
| Complexity | 556.0 |
Chemical Identifiers
| CAS Number | 7443-17-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)C3C(=O)C4=CC=CC=C4C3=O |
| InChIKey | DJQWSIGATNDGBR-UHFFFAOYSA-N |
Product Overview
Phentolacin (CAS 7443-17-6), with molecular formula C24H18O3 and molecular weight 354.13 g/mol. IUPAC: 2-[2-(4-methylphenyl)-2-phenylacetyl]indene-1,3-dione.
Chemical Property Profile of Phentolacin
Property Insights of Phentolacin
The XLogP value of 4.1 indicates that Phentolacin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.2 Ų, Phentolacin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phentolacin has 0 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 Phentolacin?
The CAS number of Phentolacin is 7443-17-6.
What is the molecular formula of Phentolacin?
The molecular formula of Phentolacin is C24H18O3.
What is the molecular weight of Phentolacin?
The molecular weight of Phentolacin is 354.13 g/mol.
Where can I buy Phentolacin?
You can request a quote for Phentolacin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phentolacin?
Yes, KEHONG BIO provides custom synthesis services for Phentolacin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.