Phthalimide, N-(4-(hexahydro-1H-azepin-1-yl)but-2-ynyl)-
TL;DR: Phthalimide, N-(4-(hexahydro-1H-azepin-1-yl)but-2-ynyl)- (CAS 22306-30-5) is a chemical compound with molecular formula C18H20N2O2 and molecular weight 296.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(azepan-1-yl)but-2-ynyl]isoindole-1,3-dione
Also Known As: 2-[4-(azepan-1-yl)but-2-yn-1-yl]-1h-isoindole-1,3(2h)-dione, Phthalimide, N-(4-(hexahydro-1H-azepin-1-yl)but-2-ynyl)-, N-(4-(Hexahydro-1H-azepin-1-yl)but-2-ynyl)phthalimide, 2-[4-(azepan-1-yl)but-2-ynyl]isoindole-1,3-dione, 2-[4-(1-azepanyl)-2-butynyl]-1,3-isoindolinedione
| Molecular Formula | C18H20N2O2 |
|---|---|
| Molecular Weight | 296.15 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 40.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 296.15247 |
| Heavy Atoms | 22 |
| Complexity | 470.0 |
Chemical Identifiers
| CAS Number | 22306-30-5 |
|---|---|
| SMILES | C1CCCN(CC1)CC#CCN2C(=O)C3=CC=CC=C3C2=O |
| InChIKey | DFLMLAHVRYYRMV-UHFFFAOYSA-N |
Product Overview
Phthalimide, N-(4-(hexahydro-1H-azepin-1-yl)but-2-ynyl)- (CAS 22306-30-5), with molecular formula C18H20N2O2 and molecular weight 296.15 g/mol. IUPAC: 2-[4-(azepan-1-yl)but-2-ynyl]isoindole-1,3-dione.
Chemical Property Profile of Phthalimide, N-(4-(hexahydro-1H-azepin-1-yl)but-2-ynyl)-
Property Insights of Phthalimide, N-(4-(hexahydro-1H-azepin-1-yl)but-2-ynyl)-
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phthalimide, N-(4-(hexahydro-1H-azepin-1-yl)but-2-ynyl)-. With a topological polar surface area (TPSA) of 40.6 Ų, Phthalimide, N-(4-(hexahydro-1H-azepin-1-yl)but-2-ynyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phthalimide, N-(4-(hexahydro-1H-azepin-1-yl)but-2-ynyl)- 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 Phthalimide, N-(4-(hexahydro-1H-azepin-1-yl)but-2-ynyl)-?
The CAS number of Phthalimide, N-(4-(hexahydro-1H-azepin-1-yl)but-2-ynyl)- is 22306-30-5.
What is the molecular formula of Phthalimide, N-(4-(hexahydro-1H-azepin-1-yl)but-2-ynyl)-?
The molecular formula of Phthalimide, N-(4-(hexahydro-1H-azepin-1-yl)but-2-ynyl)- is C18H20N2O2.
What is the molecular weight of Phthalimide, N-(4-(hexahydro-1H-azepin-1-yl)but-2-ynyl)-?
The molecular weight of Phthalimide, N-(4-(hexahydro-1H-azepin-1-yl)but-2-ynyl)- is 296.15 g/mol.
Where can I buy Phthalimide, N-(4-(hexahydro-1H-azepin-1-yl)but-2-ynyl)-?
You can request a quote for Phthalimide, N-(4-(hexahydro-1H-azepin-1-yl)but-2-ynyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phthalimide, N-(4-(hexahydro-1H-azepin-1-yl)but-2-ynyl)-?
Yes, KEHONG BIO provides custom synthesis services for Phthalimide, N-(4-(hexahydro-1H-azepin-1-yl)but-2-ynyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.