3-(1H-indol-3-ylmethyl)-2,3,6,7,8,8a-hexahydropyrrolo(1,2-a)pyrazine-1,4-dione
TL;DR: 3-(1H-indol-3-ylmethyl)-2,3,6,7,8,8a-hexahydropyrrolo(1,2-a)pyrazine-1,4-dione (CAS 67889-75-2) is a chemical compound with molecular formula C16H17N3O2 and molecular weight 283.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1H-indol-3-ylmethyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
Also Known As: Brevianamide F, Cyclo(Pro-Trp), MEGxm0_000121, ACon0_001418, ACon1_002338
| Molecular Formula | C16H17N3O2 |
|---|---|
| Molecular Weight | 283.13 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 65.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 283.13208 |
| Heavy Atoms | 21 |
| Complexity | 453.0 |
Chemical Identifiers
| CAS Number | 67889-75-2 |
|---|---|
| SMILES | C1CC2C(=O)NC(C(=O)N2C1)CC3=CNC4=CC=CC=C43 |
| InChIKey | RYFZBPVMVYTEKZ-UHFFFAOYSA-N |
Product Overview
3-(1H-indol-3-ylmethyl)-2,3,6,7,8,8a-hexahydropyrrolo(1,2-a)pyrazine-1,4-dione (CAS 67889-75-2), with molecular formula C16H17N3O2 and molecular weight 283.13 g/mol. IUPAC: 3-(1H-indol-3-ylmethyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione.
Chemical Property Profile of 3-(1H-indol-3-ylmethyl)-2,3,6,7,8,8a-hexahydropyrrolo(1,2-a)pyrazine-1,4-dione
Property Insights of 3-(1H-indol-3-ylmethyl)-2,3,6,7,8,8a-hexahydropyrrolo(1,2-a)pyrazine-1,4-dione
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1H-indol-3-ylmethyl)-2,3,6,7,8,8a-hexahydropyrrolo(1,2-a)pyrazine-1,4-dione. The TPSA of 65.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1H-indol-3-ylmethyl)-2,3,6,7,8,8a-hexahydropyrrolo(1,2-a)pyrazine-1,4-dione. Following Lipinski's Rule of Five, 3-(1H-indol-3-ylmethyl)-2,3,6,7,8,8a-hexahydropyrrolo(1,2-a)pyrazine-1,4-dione has 2 hydrogen bond donor(s) and 2 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 3-(1H-indol-3-ylmethyl)-2,3,6,7,8,8a-hexahydropyrrolo(1,2-a)pyrazine-1,4-dione?
The CAS number of 3-(1H-indol-3-ylmethyl)-2,3,6,7,8,8a-hexahydropyrrolo(1,2-a)pyrazine-1,4-dione is 67889-75-2.
What is the molecular formula of 3-(1H-indol-3-ylmethyl)-2,3,6,7,8,8a-hexahydropyrrolo(1,2-a)pyrazine-1,4-dione?
The molecular formula of 3-(1H-indol-3-ylmethyl)-2,3,6,7,8,8a-hexahydropyrrolo(1,2-a)pyrazine-1,4-dione is C16H17N3O2.
What is the molecular weight of 3-(1H-indol-3-ylmethyl)-2,3,6,7,8,8a-hexahydropyrrolo(1,2-a)pyrazine-1,4-dione?
The molecular weight of 3-(1H-indol-3-ylmethyl)-2,3,6,7,8,8a-hexahydropyrrolo(1,2-a)pyrazine-1,4-dione is 283.13 g/mol.
Where can I buy 3-(1H-indol-3-ylmethyl)-2,3,6,7,8,8a-hexahydropyrrolo(1,2-a)pyrazine-1,4-dione?
You can request a quote for 3-(1H-indol-3-ylmethyl)-2,3,6,7,8,8a-hexahydropyrrolo(1,2-a)pyrazine-1,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1H-indol-3-ylmethyl)-2,3,6,7,8,8a-hexahydropyrrolo(1,2-a)pyrazine-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(1H-indol-3-ylmethyl)-2,3,6,7,8,8a-hexahydropyrrolo(1,2-a)pyrazine-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.