RefChem:196684
TL;DR: RefChem:196684 (CAS 77762-97-1) is a chemical compound with molecular formula C28H30N4O4 and molecular weight 486.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-bis(4-piperidin-1-ylbut-2-ynyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
Also Known As: 1,2,4,5-Benzenetetracarboxylic 1,2:4,5-diimide, N,N'-bis(4-(piperidino)but-2-ynyl)-, N,N'-Bis(4-piperidinobut-2-ynyl)-1,2,4,5-benzenetetracarboxylic 1,2:4,5-diimide, 2,6-bis(4-piperidin-1-ylbut-2-ynyl)pyrrolo[3,4-f]isoindole-1, 2,6-BIS(4-(1-PIPERIDINYL)-2-BUTYNYL)BENZO(1,2-C:4,5-C')DIPYRROLE-1,3,5,7(2H,6H)-TETRONE, BENZO(1,2-C:4,5-C')DIPYRROLE-1,3,5,7(2H,6H)-TETRONE, 2,6-BIS(4-(1-PIPERIDINYL)-2-BUTYNYL)-
| Molecular Formula | C28H30N4O4 |
|---|---|
| Molecular Weight | 486.23 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 81.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 486.2267 |
| Heavy Atoms | 36 |
| Complexity | 922.0 |
Chemical Identifiers
| CAS Number | 77762-97-1 |
|---|---|
| SMILES | C1CCN(CC1)CC#CCN2C(=O)C3=CC4=C(C=C3C2=O)C(=O)N(C4=O)CC#CCN5CCCCC5 |
| InChIKey | OTOKHVNJWQHYIV-UHFFFAOYSA-N |
Product Overview
RefChem:196684 (CAS 77762-97-1), with molecular formula C28H30N4O4 and molecular weight 486.23 g/mol. IUPAC: 2,6-bis(4-piperidin-1-ylbut-2-ynyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.
Chemical Property Profile of RefChem:196684
Property Insights of RefChem:196684
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:196684. The TPSA of 81.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:196684. Following Lipinski's Rule of Five, RefChem:196684 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 RefChem:196684?
The CAS number of RefChem:196684 is 77762-97-1.
What is the molecular formula of RefChem:196684?
The molecular formula of RefChem:196684 is C28H30N4O4.
What is the molecular weight of RefChem:196684?
The molecular weight of RefChem:196684 is 486.23 g/mol.
Where can I buy RefChem:196684?
You can request a quote for RefChem:196684 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:196684?
Yes, KEHONG BIO provides custom synthesis services for RefChem:196684 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.