![2,6-di-tert-butyl-8-phenyl-1,2,4,6,7,8-hexahydrodipyrrolo[3,4-b:3',4'-e]pyridine-3,5-dione structure](/static/products/851/85187-31-1.png)
2,6-di-tert-butyl-8-phenyl-1,2,4,6,7,8-hexahydrodipyrrolo[3,4-b:3',4'-e]pyridine-3,5-dione
TL;DR: 2,6-di-tert-butyl-8-phenyl-1,2,4,6,7,8-hexahydrodipyrrolo[3,4-b:3',4'-e]pyridine-3,5-dione (CAS 85187-31-1) is a chemical compound with molecular formula C23H29N3O2 and molecular weight 379.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,11-ditert-butyl-8-phenyl-2,5,11-triazatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-4,12-dione
Also Known As: 2,6-di-tert-butyl-8-phenyl-1,2,4,6,7,8-hexahydrodipyrrolo[3,4-b:3',4'-e]pyridine-3,5-dione, 2,6-ditert-butyl-8-phenyl-1,4,7,8-tetrahydrodipyrrolo[4,3-b:, 2,6-ditert-butyl-8-phenyl-1,4,7,8-tetrahydrodipyrrolo[4,3-b:4',3'-f]pyridine-3,5-dione
| Molecular Formula | C23H29N3O2 |
|---|---|
| Molecular Weight | 379.23 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 52.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 379.22598 |
| Heavy Atoms | 28 |
| Complexity | 717.0 |
Chemical Identifiers
| CAS Number | 85187-31-1 |
|---|---|
| SMILES | CC(C)(C)N1CC2=C(C1=O)NC3=C(C2C4=CC=CC=C4)CN(C3=O)C(C)(C)C |
| InChIKey | YHDJIFPIMQDWIO-UHFFFAOYSA-N |
Product Overview
2,6-di-tert-butyl-8-phenyl-1,2,4,6,7,8-hexahydrodipyrrolo[3,4-b:3',4'-e]pyridine-3,5-dione (CAS 85187-31-1), with molecular formula C23H29N3O2 and molecular weight 379.23 g/mol. IUPAC: 5,11-ditert-butyl-8-phenyl-2,5,11-triazatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-4,12-dione.
Chemical Property Profile of 2,6-di-tert-butyl-8-phenyl-1,2,4,6,7,8-hexahydrodipyrrolo[3,4-b:3',4'-e]pyridine-3,5-dione
Property Insights of 2,6-di-tert-butyl-8-phenyl-1,2,4,6,7,8-hexahydrodipyrrolo[3,4-b:3',4'-e]pyridine-3,5-dione
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-di-tert-butyl-8-phenyl-1,2,4,6,7,8-hexahydrodipyrrolo[3,4-b:3',4'-e]pyridine-3,5-dione. With a topological polar surface area (TPSA) of 52.7 Ų, 2,6-di-tert-butyl-8-phenyl-1,2,4,6,7,8-hexahydrodipyrrolo[3,4-b:3',4'-e]pyridine-3,5-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-di-tert-butyl-8-phenyl-1,2,4,6,7,8-hexahydrodipyrrolo[3,4-b:3',4'-e]pyridine-3,5-dione has 1 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 2,6-di-tert-butyl-8-phenyl-1,2,4,6,7,8-hexahydrodipyrrolo[3,4-b:3',4'-e]pyridine-3,5-dione?
The CAS number of 2,6-di-tert-butyl-8-phenyl-1,2,4,6,7,8-hexahydrodipyrrolo[3,4-b:3',4'-e]pyridine-3,5-dione is 85187-31-1.
What is the molecular formula of 2,6-di-tert-butyl-8-phenyl-1,2,4,6,7,8-hexahydrodipyrrolo[3,4-b:3',4'-e]pyridine-3,5-dione?
The molecular formula of 2,6-di-tert-butyl-8-phenyl-1,2,4,6,7,8-hexahydrodipyrrolo[3,4-b:3',4'-e]pyridine-3,5-dione is C23H29N3O2.
What is the molecular weight of 2,6-di-tert-butyl-8-phenyl-1,2,4,6,7,8-hexahydrodipyrrolo[3,4-b:3',4'-e]pyridine-3,5-dione?
The molecular weight of 2,6-di-tert-butyl-8-phenyl-1,2,4,6,7,8-hexahydrodipyrrolo[3,4-b:3',4'-e]pyridine-3,5-dione is 379.23 g/mol.
Where can I buy 2,6-di-tert-butyl-8-phenyl-1,2,4,6,7,8-hexahydrodipyrrolo[3,4-b:3',4'-e]pyridine-3,5-dione?
You can request a quote for 2,6-di-tert-butyl-8-phenyl-1,2,4,6,7,8-hexahydrodipyrrolo[3,4-b:3',4'-e]pyridine-3,5-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-di-tert-butyl-8-phenyl-1,2,4,6,7,8-hexahydrodipyrrolo[3,4-b:3',4'-e]pyridine-3,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 2,6-di-tert-butyl-8-phenyl-1,2,4,6,7,8-hexahydrodipyrrolo[3,4-b:3',4'-e]pyridine-3,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.