![N-[2-(3,4-Dimethoxyphenyl)ethyl]-10b-hydroxy-3,6-dioxo-2,5-di(propan-2-yl)octahydro-8H-[1,3]oxazolo[3,2-a]pyrrolo[2,1-c]pyrazine-2-carboximidic acid structure](/static/products/6082/60828-50-4.webp)
N-[2-(3,4-Dimethoxyphenyl)ethyl]-10b-hydroxy-3,6-dioxo-2,5-di(propan-2-yl)octahydro-8H-[1,3]oxazolo[3,2-a]pyrrolo[2,1-c]pyrazine-2-carboximidic acid
TL;DR: N-[2-(3,4-Dimethoxyphenyl)ethyl]-10b-hydroxy-3,6-dioxo-2,5-di(propan-2-yl)octahydro-8H-[1,3]oxazolo[3,2-a]pyrrolo[2,1-c]pyrazine-2-carboximidic acid (CAS 60828-50-4) is a chemical compound with molecular formula C26H37N3O7 and molecular weight 503.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-hydroxy-5,8-dioxo-4,7-di(propan-2-yl)-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecane-4-carboxamide
Also Known As: N-[2-(3,4-Dimethoxyphenyl)ethyl]-10b-hydroxy-3,6-dioxo-2,5-di(propan-2-yl)octahydro-8H-[1,3]oxazolo[3,2-a]pyrrolo[2,1-c]pyrazine-2-carboximidic acid, N-[2-(3,4-dimethoxyphenyl)ethyl]-2-hydroxy-5,8-dioxo-4,7-di(propan-2-yl)-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecane-4-carboxamide
| Molecular Formula | C26H37N3O7 |
|---|---|
| Molecular Weight | 503.26 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 503.26315 |
| Heavy Atoms | 36 |
| Complexity | 866.0 |
Chemical Identifiers
| CAS Number | 60828-50-4 |
|---|---|
| SMILES | CC(C)C1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)C(=O)NCCC4=CC(=C(C=C4)OC)OC)O |
| InChIKey | OCNAZZCRSDYKLG-UHFFFAOYSA-N |
Product Overview
N-[2-(3,4-Dimethoxyphenyl)ethyl]-10b-hydroxy-3,6-dioxo-2,5-di(propan-2-yl)octahydro-8H-[1,3]oxazolo[3,2-a]pyrrolo[2,1-c]pyrazine-2-carboximidic acid (CAS 60828-50-4), with molecular formula C26H37N3O7 and molecular weight 503.26 g/mol. IUPAC: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-hydroxy-5,8-dioxo-4,7-di(propan-2-yl)-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecane-4-carboxamide.
Chemical Property Profile of N-[2-(3,4-Dimethoxyphenyl)ethyl]-10b-hydroxy-3,6-dioxo-2,5-di(propan-2-yl)octahydro-8H-[1,3]oxazolo[3,2-a]pyrrolo[2,1-c]pyrazine-2-carboximidic acid
Property Insights of N-[2-(3,4-Dimethoxyphenyl)ethyl]-10b-hydroxy-3,6-dioxo-2,5-di(propan-2-yl)octahydro-8H-[1,3]oxazolo[3,2-a]pyrrolo[2,1-c]pyrazine-2-carboximidic acid
The XLogP value of 3.1 indicates that N-[2-(3,4-Dimethoxyphenyl)ethyl]-10b-hydroxy-3,6-dioxo-2,5-di(propan-2-yl)octahydro-8H-[1,3]oxazolo[3,2-a]pyrrolo[2,1-c]pyrazine-2-carboximidic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2-(3,4-Dimethoxyphenyl)ethyl]-10b-hydroxy-3,6-dioxo-2,5-di(propan-2-yl)octahydro-8H-[1,3]oxazolo[3,2-a]pyrrolo[2,1-c]pyrazine-2-carboximidic acid. Following Lipinski's Rule of Five, N-[2-(3,4-Dimethoxyphenyl)ethyl]-10b-hydroxy-3,6-dioxo-2,5-di(propan-2-yl)octahydro-8H-[1,3]oxazolo[3,2-a]pyrrolo[2,1-c]pyrazine-2-carboximidic acid has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[2-(3,4-Dimethoxyphenyl)ethyl]-10b-hydroxy-3,6-dioxo-2,5-di(propan-2-yl)octahydro-8H-[1,3]oxazolo[3,2-a]pyrrolo[2,1-c]pyrazine-2-carboximidic acid?
The CAS number of N-[2-(3,4-Dimethoxyphenyl)ethyl]-10b-hydroxy-3,6-dioxo-2,5-di(propan-2-yl)octahydro-8H-[1,3]oxazolo[3,2-a]pyrrolo[2,1-c]pyrazine-2-carboximidic acid is 60828-50-4.
What is the molecular formula of N-[2-(3,4-Dimethoxyphenyl)ethyl]-10b-hydroxy-3,6-dioxo-2,5-di(propan-2-yl)octahydro-8H-[1,3]oxazolo[3,2-a]pyrrolo[2,1-c]pyrazine-2-carboximidic acid?
The molecular formula of N-[2-(3,4-Dimethoxyphenyl)ethyl]-10b-hydroxy-3,6-dioxo-2,5-di(propan-2-yl)octahydro-8H-[1,3]oxazolo[3,2-a]pyrrolo[2,1-c]pyrazine-2-carboximidic acid is C26H37N3O7.
What is the molecular weight of N-[2-(3,4-Dimethoxyphenyl)ethyl]-10b-hydroxy-3,6-dioxo-2,5-di(propan-2-yl)octahydro-8H-[1,3]oxazolo[3,2-a]pyrrolo[2,1-c]pyrazine-2-carboximidic acid?
The molecular weight of N-[2-(3,4-Dimethoxyphenyl)ethyl]-10b-hydroxy-3,6-dioxo-2,5-di(propan-2-yl)octahydro-8H-[1,3]oxazolo[3,2-a]pyrrolo[2,1-c]pyrazine-2-carboximidic acid is 503.26 g/mol.
Where can I buy N-[2-(3,4-Dimethoxyphenyl)ethyl]-10b-hydroxy-3,6-dioxo-2,5-di(propan-2-yl)octahydro-8H-[1,3]oxazolo[3,2-a]pyrrolo[2,1-c]pyrazine-2-carboximidic acid?
You can request a quote for N-[2-(3,4-Dimethoxyphenyl)ethyl]-10b-hydroxy-3,6-dioxo-2,5-di(propan-2-yl)octahydro-8H-[1,3]oxazolo[3,2-a]pyrrolo[2,1-c]pyrazine-2-carboximidic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[2-(3,4-Dimethoxyphenyl)ethyl]-10b-hydroxy-3,6-dioxo-2,5-di(propan-2-yl)octahydro-8H-[1,3]oxazolo[3,2-a]pyrrolo[2,1-c]pyrazine-2-carboximidic acid?
Yes, KEHONG BIO provides custom synthesis services for N-[2-(3,4-Dimethoxyphenyl)ethyl]-10b-hydroxy-3,6-dioxo-2,5-di(propan-2-yl)octahydro-8H-[1,3]oxazolo[3,2-a]pyrrolo[2,1-c]pyrazine-2-carboximidic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.