Phthalimidine, 2-(4-(1-pyrrolidinyl)-2-butynyl)-, fumarate (1:1)
TL;DR: Phthalimidine, 2-(4-(1-pyrrolidinyl)-2-butynyl)-, fumarate (1:1) (CAS 14074-90-9) is a chemical compound with molecular formula C20H22N2O5 and molecular weight 370.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;2-(4-pyrrolidin-1-ylbut-2-ynyl)-3H-isoindol-1-one
Also Known As: 2-(4-(1-Pyrrolidinyl)-2-butynyl)phthalimidine fumarate, Phthalimidine, 2-(4-(1-pyrrolidinyl)-2-butynyl)-, fumarate (1:1), (E)-but-2-enedioic acid; 2-(4-pyrrolidin-1-ylbut-2-ynyl)-3H-isoindol-1-one, RefChem:1095564
| Molecular Formula | C20H22N2O5 |
|---|---|
| Molecular Weight | 370.15 g/mol |
| LogP | 1.4534 |
| Topological Polar Surface Area | 98.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 370.15286 |
| Heavy Atoms | 27 |
| Complexity | 769.05206 |
Chemical Identifiers
| CAS Number | 14074-90-9 |
|---|---|
| SMILES | C1CCN(C1)CC#CCN2CC3=CC=CC=C3C2=O.C(=C/C(=O)O)\C(=O)O |
Product Overview
Phthalimidine, 2-(4-(1-pyrrolidinyl)-2-butynyl)-, fumarate (1:1) (CAS 14074-90-9), with molecular formula C20H22N2O5 and molecular weight 370.15 g/mol. IUPAC: (E)-but-2-enedioic acid;2-(4-pyrrolidin-1-ylbut-2-ynyl)-3H-isoindol-1-one.
Chemical Property Profile of Phthalimidine, 2-(4-(1-pyrrolidinyl)-2-butynyl)-, fumarate (1:1)
Property Insights of Phthalimidine, 2-(4-(1-pyrrolidinyl)-2-butynyl)-, fumarate (1:1)
The XLogP value of 1.4534 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phthalimidine, 2-(4-(1-pyrrolidinyl)-2-butynyl)-, fumarate (1:1). The TPSA of 98.15 Ų falls within the moderate polarity range, balancing permeability and solubility for Phthalimidine, 2-(4-(1-pyrrolidinyl)-2-butynyl)-, fumarate (1:1). Following Lipinski's Rule of Five, Phthalimidine, 2-(4-(1-pyrrolidinyl)-2-butynyl)-, fumarate (1:1) has 2 hydrogen bond donor(s) and 4 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 Phthalimidine, 2-(4-(1-pyrrolidinyl)-2-butynyl)-, fumarate (1:1)?
The CAS number of Phthalimidine, 2-(4-(1-pyrrolidinyl)-2-butynyl)-, fumarate (1:1) is 14074-90-9.
What is the molecular formula of Phthalimidine, 2-(4-(1-pyrrolidinyl)-2-butynyl)-, fumarate (1:1)?
The molecular formula of Phthalimidine, 2-(4-(1-pyrrolidinyl)-2-butynyl)-, fumarate (1:1) is C20H22N2O5.
What is the molecular weight of Phthalimidine, 2-(4-(1-pyrrolidinyl)-2-butynyl)-, fumarate (1:1)?
The molecular weight of Phthalimidine, 2-(4-(1-pyrrolidinyl)-2-butynyl)-, fumarate (1:1) is 370.15 g/mol.
Where can I buy Phthalimidine, 2-(4-(1-pyrrolidinyl)-2-butynyl)-, fumarate (1:1)?
You can request a quote for Phthalimidine, 2-(4-(1-pyrrolidinyl)-2-butynyl)-, fumarate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phthalimidine, 2-(4-(1-pyrrolidinyl)-2-butynyl)-, fumarate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Phthalimidine, 2-(4-(1-pyrrolidinyl)-2-butynyl)-, fumarate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.