1,4-Diphthalimido-2-butyne
TL;DR: 1,4-Diphthalimido-2-butyne (CAS 3927-71-7) is a chemical compound with molecular formula C20H12N2O4 and molecular weight 344.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(1,3-dioxoisoindol-2-yl)but-2-ynyl]isoindole-1,3-dione
Also Known As: 1,4-DIPHTHALIMIDO-2-BUTYNE, N,N'-But-2-indiyl-bis-phthalimid, 2,2'-(But-2-yne-1,4-diyl)bis(isoindoline-1,3-dione), 2,2'-but-2-yne-1,4-diylbis(1h-isoindole-1,3(2h)-dione), 2-[4-(1,3-dioxoisoindol-2-yl)but-2-ynyl]isoindole-1,3-dione
| Molecular Formula | C20H12N2O4 |
|---|---|
| Molecular Weight | 344.08 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 74.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 344.0797 |
| Heavy Atoms | 26 |
| Complexity | 625.0 |
Chemical Identifiers
| CAS Number | 3927-71-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)CC#CCN3C(=O)C4=CC=CC=C4C3=O |
| InChIKey | QWUGUVOMIVVVPH-UHFFFAOYSA-N |
Product Overview
1,4-Diphthalimido-2-butyne (CAS 3927-71-7), with molecular formula C20H12N2O4 and molecular weight 344.08 g/mol. IUPAC: 2-[4-(1,3-dioxoisoindol-2-yl)but-2-ynyl]isoindole-1,3-dione.
Chemical Property Profile of 1,4-Diphthalimido-2-butyne
Property Insights of 1,4-Diphthalimido-2-butyne
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Diphthalimido-2-butyne. The TPSA of 74.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Diphthalimido-2-butyne. Following Lipinski's Rule of Five, 1,4-Diphthalimido-2-butyne 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 1,4-Diphthalimido-2-butyne?
The CAS number of 1,4-Diphthalimido-2-butyne is 3927-71-7.
What is the molecular formula of 1,4-Diphthalimido-2-butyne?
The molecular formula of 1,4-Diphthalimido-2-butyne is C20H12N2O4.
What is the molecular weight of 1,4-Diphthalimido-2-butyne?
The molecular weight of 1,4-Diphthalimido-2-butyne is 344.08 g/mol.
Where can I buy 1,4-Diphthalimido-2-butyne?
You can request a quote for 1,4-Diphthalimido-2-butyne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Diphthalimido-2-butyne?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Diphthalimido-2-butyne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.