Benz(f)isoindoline, 2-ethyl-, citrate
TL;DR: Benz(f)isoindoline, 2-ethyl-, citrate (CAS 100447-49-2) is a chemical compound with molecular formula C20H23NO7 and molecular weight 389.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-1,3-dihydrobenzo[f]isoindole;2-hydroxypropane-1,2,3-tricarboxylic acid
Also Known As: 2-Ethyl benz(f)isoindoline citrate, Benz(f)isoindoline, 2-ethyl-, citrate, 2-ethyl-1,3-dihydrobenzo[f]isoindole,2-hydroxypropane-1,2,3-tricarboxylic acid, 2-ethyl-1,3-dihydrobenzo[f]isoindole; 2-hydroxypropane-1,2,3-tricarboxylic acid, 2-Hydroxypropane-1,2,3-tricarboxylic acid--2-ethyl-2,3-dihydro-1H-benzo[f]isoindole (1/1)
| Molecular Formula | C20H23NO7 |
|---|---|
| Molecular Weight | 389.15 g/mol |
| LogP | 1.9268 |
| Topological Polar Surface Area | 135.37 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 389.14746 |
| Heavy Atoms | 28 |
| Complexity | 832.75323 |
Chemical Identifiers
| CAS Number | 100447-49-2 |
|---|---|
| SMILES | CCN1CC2=CC3=CC=CC=C3C=C2C1.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
Product Overview
Benz(f)isoindoline, 2-ethyl-, citrate (CAS 100447-49-2), with molecular formula C20H23NO7 and molecular weight 389.15 g/mol. IUPAC: 2-ethyl-1,3-dihydrobenzo[f]isoindole;2-hydroxypropane-1,2,3-tricarboxylic acid.
Chemical Property Profile of Benz(f)isoindoline, 2-ethyl-, citrate
Property Insights of Benz(f)isoindoline, 2-ethyl-, citrate
The XLogP value of 1.9268 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benz(f)isoindoline, 2-ethyl-, citrate. The TPSA of 135.37 Ų falls within the moderate polarity range, balancing permeability and solubility for Benz(f)isoindoline, 2-ethyl-, citrate. Following Lipinski's Rule of Five, Benz(f)isoindoline, 2-ethyl-, citrate has 4 hydrogen bond donor(s) and 5 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 Benz(f)isoindoline, 2-ethyl-, citrate?
The CAS number of Benz(f)isoindoline, 2-ethyl-, citrate is 100447-49-2.
What is the molecular formula of Benz(f)isoindoline, 2-ethyl-, citrate?
The molecular formula of Benz(f)isoindoline, 2-ethyl-, citrate is C20H23NO7.
What is the molecular weight of Benz(f)isoindoline, 2-ethyl-, citrate?
The molecular weight of Benz(f)isoindoline, 2-ethyl-, citrate is 389.15 g/mol.
Where can I buy Benz(f)isoindoline, 2-ethyl-, citrate?
You can request a quote for Benz(f)isoindoline, 2-ethyl-, citrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benz(f)isoindoline, 2-ethyl-, citrate?
Yes, KEHONG BIO provides custom synthesis services for Benz(f)isoindoline, 2-ethyl-, citrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.