Benzyl 2,3-dimethyl-1,4-dioxooctahydropyrrolo(1,2-a)pyrazin-3-ylcarbamate
TL;DR: Benzyl 2,3-dimethyl-1,4-dioxooctahydropyrrolo(1,2-a)pyrazin-3-ylcarbamate (CAS 53941-83-6) is a chemical compound with molecular formula C17H21N3O4 and molecular weight 331.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-(2,3-dimethyl-1,4-dioxo-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazin-3-yl)carbamate
Also Known As: Benzyl 2,3-dimethyl-1,4-dioxooctahydropyrrolo(1,2-a)pyrazin-3-ylcarbamate, benzyl N-(2,3-dimethyl-1,4-dioxo-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazin-3-yl)carbamate, benzyl N-(2,3-dimethyl-1,4-dioxo-6,7,8,8a-tetrahydropyrrolo[, Benzyl 2,3-dimethyl-1,4-dioxooctahydropyrrolo[1,2-a]pyrazin-3-ylcarbamate, (2,3-dimethyl-1,4-dioxo-octahydro-pyrrolo[1,2-a]pyrazin-3-yl)-carbamic acid benzyl ester
| Molecular Formula | C17H21N3O4 |
|---|---|
| Molecular Weight | 331.15 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 79.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.1532 |
| Heavy Atoms | 24 |
| Complexity | 532.0 |
Chemical Identifiers
| CAS Number | 53941-83-6 |
|---|---|
| SMILES | CC1(C(=O)N2CCCC2C(=O)N1C)NC(=O)OCC3=CC=CC=C3 |
| InChIKey | JVFZVOWNXZDZJP-UHFFFAOYSA-N |
Product Overview
Benzyl 2,3-dimethyl-1,4-dioxooctahydropyrrolo(1,2-a)pyrazin-3-ylcarbamate (CAS 53941-83-6), with molecular formula C17H21N3O4 and molecular weight 331.15 g/mol. IUPAC: benzyl N-(2,3-dimethyl-1,4-dioxo-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazin-3-yl)carbamate.
Chemical Property Profile of Benzyl 2,3-dimethyl-1,4-dioxooctahydropyrrolo(1,2-a)pyrazin-3-ylcarbamate
Property Insights of Benzyl 2,3-dimethyl-1,4-dioxooctahydropyrrolo(1,2-a)pyrazin-3-ylcarbamate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl 2,3-dimethyl-1,4-dioxooctahydropyrrolo(1,2-a)pyrazin-3-ylcarbamate. The TPSA of 79.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl 2,3-dimethyl-1,4-dioxooctahydropyrrolo(1,2-a)pyrazin-3-ylcarbamate. Following Lipinski's Rule of Five, Benzyl 2,3-dimethyl-1,4-dioxooctahydropyrrolo(1,2-a)pyrazin-3-ylcarbamate has 1 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 Benzyl 2,3-dimethyl-1,4-dioxooctahydropyrrolo(1,2-a)pyrazin-3-ylcarbamate?
The CAS number of Benzyl 2,3-dimethyl-1,4-dioxooctahydropyrrolo(1,2-a)pyrazin-3-ylcarbamate is 53941-83-6.
What is the molecular formula of Benzyl 2,3-dimethyl-1,4-dioxooctahydropyrrolo(1,2-a)pyrazin-3-ylcarbamate?
The molecular formula of Benzyl 2,3-dimethyl-1,4-dioxooctahydropyrrolo(1,2-a)pyrazin-3-ylcarbamate is C17H21N3O4.
What is the molecular weight of Benzyl 2,3-dimethyl-1,4-dioxooctahydropyrrolo(1,2-a)pyrazin-3-ylcarbamate?
The molecular weight of Benzyl 2,3-dimethyl-1,4-dioxooctahydropyrrolo(1,2-a)pyrazin-3-ylcarbamate is 331.15 g/mol.
Where can I buy Benzyl 2,3-dimethyl-1,4-dioxooctahydropyrrolo(1,2-a)pyrazin-3-ylcarbamate?
You can request a quote for Benzyl 2,3-dimethyl-1,4-dioxooctahydropyrrolo(1,2-a)pyrazin-3-ylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 2,3-dimethyl-1,4-dioxooctahydropyrrolo(1,2-a)pyrazin-3-ylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 2,3-dimethyl-1,4-dioxooctahydropyrrolo(1,2-a)pyrazin-3-ylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.