1H-Isoindole-1,3(2H)-dione, 2-((4-(hexahydro-1H-azepin-1-yl)-2-butynyl)oxy)-
TL;DR: 1H-Isoindole-1,3(2H)-dione, 2-((4-(hexahydro-1H-azepin-1-yl)-2-butynyl)oxy)- (CAS 74484-69-8) is a chemical compound with molecular formula C18H20N2O3 and molecular weight 312.15 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-ynoxy]isoindole-1,3-dione
Also Known As: 2-[4- but-2-ynoxy]isoindole-1,3-dione, 2-((4-(Hexahydro-1H-azepin-1-yl)-2-butynyl)oxy)-1H-isoindole-1,3(2H)-dione, 2-[4-(azepan-1-yl)but-2-ynoxy]isoindole-1,3-dione, 1H-Isoindole-1,3(2H)-dione, 2-((4-(hexahydro-1H-azepin-1-yl)-2-butynyl)oxy)-, 2-((4-(azepan-1-yl)but-2-yn-1-yl)oxy)isoindoline-1,3-dione
| Molecular Formula | C18H20N2O3 |
|---|---|
| Molecular Weight | 312.15 g/mol |
| LogP | 2.0936 |
| Topological Polar Surface Area | 49.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.1474 |
| Heavy Atoms | 23 |
| Complexity | 616.7208 |
Chemical Identifiers
| CAS Number | 74484-69-8 |
|---|---|
| SMILES | C1CCCN(CC1)CC#CCON2C(=O)C3=CC=CC=C3C2=O |
Product Overview
1H-Isoindole-1,3(2H)-dione, 2-((4-(hexahydro-1H-azepin-1-yl)-2-butynyl)oxy)- (CAS 74484-69-8), with molecular formula C18H20N2O3 and molecular weight 312.15 g/mol. IUPAC: 2-[4-(azepan-1-yl)but-2-ynoxy]isoindole-1,3-dione.
Chemical Property Profile of 1H-Isoindole-1,3(2H)-dione, 2-((4-(hexahydro-1H-azepin-1-yl)-2-butynyl)oxy)-
Property Insights of 1H-Isoindole-1,3(2H)-dione, 2-((4-(hexahydro-1H-azepin-1-yl)-2-butynyl)oxy)-
The XLogP value of 2.0936 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Isoindole-1,3(2H)-dione, 2-((4-(hexahydro-1H-azepin-1-yl)-2-butynyl)oxy)-. With a topological polar surface area (TPSA) of 49.85 Ų, 1H-Isoindole-1,3(2H)-dione, 2-((4-(hexahydro-1H-azepin-1-yl)-2-butynyl)oxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Isoindole-1,3(2H)-dione, 2-((4-(hexahydro-1H-azepin-1-yl)-2-butynyl)oxy)- has 0 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 1H-Isoindole-1,3(2H)-dione, 2-((4-(hexahydro-1H-azepin-1-yl)-2-butynyl)oxy)-?
The CAS number of 1H-Isoindole-1,3(2H)-dione, 2-((4-(hexahydro-1H-azepin-1-yl)-2-butynyl)oxy)- is 74484-69-8.
What is the molecular formula of 1H-Isoindole-1,3(2H)-dione, 2-((4-(hexahydro-1H-azepin-1-yl)-2-butynyl)oxy)-?
The molecular formula of 1H-Isoindole-1,3(2H)-dione, 2-((4-(hexahydro-1H-azepin-1-yl)-2-butynyl)oxy)- is C18H20N2O3.
What is the molecular weight of 1H-Isoindole-1,3(2H)-dione, 2-((4-(hexahydro-1H-azepin-1-yl)-2-butynyl)oxy)-?
The molecular weight of 1H-Isoindole-1,3(2H)-dione, 2-((4-(hexahydro-1H-azepin-1-yl)-2-butynyl)oxy)- is 312.15 g/mol.
Where can I buy 1H-Isoindole-1,3(2H)-dione, 2-((4-(hexahydro-1H-azepin-1-yl)-2-butynyl)oxy)-?
You can request a quote for 1H-Isoindole-1,3(2H)-dione, 2-((4-(hexahydro-1H-azepin-1-yl)-2-butynyl)oxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Isoindole-1,3(2H)-dione, 2-((4-(hexahydro-1H-azepin-1-yl)-2-butynyl)oxy)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Isoindole-1,3(2H)-dione, 2-((4-(hexahydro-1H-azepin-1-yl)-2-butynyl)oxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.