3-(1,3-Benzodioxol-5-ylmethylamino)-1-(4-fluorophenyl)pyrrolidine-2,5-dione
TL;DR: 3-(1,3-Benzodioxol-5-ylmethylamino)-1-(4-fluorophenyl)pyrrolidine-2,5-dione (CAS 5652-89-1) is a chemical compound with molecular formula C18H15FN2O4 and molecular weight 342.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-ylmethylamino)-1-(4-fluorophenyl)pyrrolidine-2,5-dione
Also Known As: BAS 00583922, BIM-0027856.P001, 3-(1,3-benzodioxol-5-ylmethylamino)-1-(4-fluorophenyl)pyrrolidine-2,5-dione, 3-[(1,3-benzodioxol-5-ylmethyl)amino]-1-(4-fluorophenyl)pyrrolidine-2,5-dione, 3-[(1,3-benzodioxol-5-ylmethyl)amino]-1-(4-fluorophenyl)-2,5-pyrrolidinedione
| Molecular Formula | C18H15FN2O4 |
|---|---|
| Molecular Weight | 342.10 g/mol |
| LogP | 1.9761 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 342.1016 |
| Heavy Atoms | 25 |
| Complexity | 837.4697 |
Chemical Identifiers
| CAS Number | 5652-89-1 |
|---|---|
| SMILES | C1C(C(=O)N(C1=O)C2=CC=C(C=C2)F)NCC3=CC4=C(C=C3)OCO4 |
Product Overview
3-(1,3-Benzodioxol-5-ylmethylamino)-1-(4-fluorophenyl)pyrrolidine-2,5-dione (CAS 5652-89-1), with molecular formula C18H15FN2O4 and molecular weight 342.10 g/mol. IUPAC: 3-(1,3-benzodioxol-5-ylmethylamino)-1-(4-fluorophenyl)pyrrolidine-2,5-dione.
Chemical Property Profile of 3-(1,3-Benzodioxol-5-ylmethylamino)-1-(4-fluorophenyl)pyrrolidine-2,5-dione
Property Insights of 3-(1,3-Benzodioxol-5-ylmethylamino)-1-(4-fluorophenyl)pyrrolidine-2,5-dione
The XLogP value of 1.9761 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1,3-Benzodioxol-5-ylmethylamino)-1-(4-fluorophenyl)pyrrolidine-2,5-dione. The TPSA of 67.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,3-Benzodioxol-5-ylmethylamino)-1-(4-fluorophenyl)pyrrolidine-2,5-dione. Following Lipinski's Rule of Five, 3-(1,3-Benzodioxol-5-ylmethylamino)-1-(4-fluorophenyl)pyrrolidine-2,5-dione has 1 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 3-(1,3-Benzodioxol-5-ylmethylamino)-1-(4-fluorophenyl)pyrrolidine-2,5-dione?
The CAS number of 3-(1,3-Benzodioxol-5-ylmethylamino)-1-(4-fluorophenyl)pyrrolidine-2,5-dione is 5652-89-1.
What is the molecular formula of 3-(1,3-Benzodioxol-5-ylmethylamino)-1-(4-fluorophenyl)pyrrolidine-2,5-dione?
The molecular formula of 3-(1,3-Benzodioxol-5-ylmethylamino)-1-(4-fluorophenyl)pyrrolidine-2,5-dione is C18H15FN2O4.
What is the molecular weight of 3-(1,3-Benzodioxol-5-ylmethylamino)-1-(4-fluorophenyl)pyrrolidine-2,5-dione?
The molecular weight of 3-(1,3-Benzodioxol-5-ylmethylamino)-1-(4-fluorophenyl)pyrrolidine-2,5-dione is 342.10 g/mol.
Where can I buy 3-(1,3-Benzodioxol-5-ylmethylamino)-1-(4-fluorophenyl)pyrrolidine-2,5-dione?
You can request a quote for 3-(1,3-Benzodioxol-5-ylmethylamino)-1-(4-fluorophenyl)pyrrolidine-2,5-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1,3-Benzodioxol-5-ylmethylamino)-1-(4-fluorophenyl)pyrrolidine-2,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-Benzodioxol-5-ylmethylamino)-1-(4-fluorophenyl)pyrrolidine-2,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.