2,2'-(But-2-yne-1,4-diyl)di(hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione)
TL;DR: 2,2'-(But-2-yne-1,4-diyl)di(hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione) (CAS 73806-09-4) is a chemical compound with molecular formula C20H20N2O6 and molecular weight 384.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl)but-2-ynyl]-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
Also Known As: 1,4-Bis(endothalimido)-2-butyne, N,6-endoxohexahydrophthalimide), N,N'-(2-Butynylene)bis(3,6-endoxohexahydrophthalimide), Phthalimide, N,N'-(2-butynylene)bis(3,6-endoxohexahydro-, 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboximide, N,N'-(2-butynylene)bis-
| Molecular Formula | C20H20N2O6 |
|---|---|
| Molecular Weight | 384.13 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 93.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 384.13214 |
| Heavy Atoms | 28 |
| Complexity | 762.0 |
Chemical Identifiers
| CAS Number | 73806-09-4 |
|---|---|
| SMILES | C1CC2C3C(C1O2)C(=O)N(C3=O)CC#CCN4C(=O)C5C6CCC(C5C4=O)O6 |
| InChIKey | PHDHWFLOCQBQQA-UHFFFAOYSA-N |
Product Overview
2,2'-(But-2-yne-1,4-diyl)di(hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione) (CAS 73806-09-4), with molecular formula C20H20N2O6 and molecular weight 384.13 g/mol. IUPAC: 2-[4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl)but-2-ynyl]-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione.
Chemical Property Profile of 2,2'-(But-2-yne-1,4-diyl)di(hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione)
Property Insights of 2,2'-(But-2-yne-1,4-diyl)di(hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione)
The XLogP value of -1.2 indicates that 2,2'-(But-2-yne-1,4-diyl)di(hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 93.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2'-(But-2-yne-1,4-diyl)di(hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione). Following Lipinski's Rule of Five, 2,2'-(But-2-yne-1,4-diyl)di(hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione) has 0 hydrogen bond donor(s) and 6 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 2,2'-(But-2-yne-1,4-diyl)di(hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione)?
The CAS number of 2,2'-(But-2-yne-1,4-diyl)di(hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione) is 73806-09-4.
What is the molecular formula of 2,2'-(But-2-yne-1,4-diyl)di(hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione)?
The molecular formula of 2,2'-(But-2-yne-1,4-diyl)di(hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione) is C20H20N2O6.
What is the molecular weight of 2,2'-(But-2-yne-1,4-diyl)di(hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione)?
The molecular weight of 2,2'-(But-2-yne-1,4-diyl)di(hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione) is 384.13 g/mol.
Where can I buy 2,2'-(But-2-yne-1,4-diyl)di(hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione)?
You can request a quote for 2,2'-(But-2-yne-1,4-diyl)di(hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2'-(But-2-yne-1,4-diyl)di(hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione)?
Yes, KEHONG BIO provides custom synthesis services for 2,2'-(But-2-yne-1,4-diyl)di(hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.