![(S)-2-(2-chlorobenzyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione structure](/static/products/447/447458-53-9.png)
(S)-2-(2-chlorobenzyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
TL;DR: (S)-2-(2-chlorobenzyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione (CAS 447458-53-9) is a chemical compound with molecular formula C14H15ClN2O2 and molecular weight 278.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8aS)-2-[(2-chlorophenyl)methyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
Also Known As: (8aS)-2-(2-chlorobenzyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, (S)-2-(2-chlorobenzyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
| Molecular Formula | C14H15ClN2O2 |
|---|---|
| Molecular Weight | 278.08 g/mol |
| LogP | 1.6732 |
| Topological Polar Surface Area | 40.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 278.0822 |
| Heavy Atoms | 19 |
| Complexity | 531.9322 |
Chemical Identifiers
| CAS Number | 447458-53-9 |
|---|---|
| SMILES | C1C[C@H]2C(=O)N(CC(=O)N2C1)CC3=CC=CC=C3Cl |
Product Overview
(S)-2-(2-chlorobenzyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione (CAS 447458-53-9), with molecular formula C14H15ClN2O2 and molecular weight 278.08 g/mol. IUPAC: (8aS)-2-[(2-chlorophenyl)methyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione.
Chemical Property Profile of (S)-2-(2-chlorobenzyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
Property Insights of (S)-2-(2-chlorobenzyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
The XLogP value of 1.6732 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-2-(2-chlorobenzyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione. With a topological polar surface area (TPSA) of 40.62 Ų, (S)-2-(2-chlorobenzyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (S)-2-(2-chlorobenzyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione has 0 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 (S)-2-(2-chlorobenzyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione?
The CAS number of (S)-2-(2-chlorobenzyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione is 447458-53-9.
What is the molecular formula of (S)-2-(2-chlorobenzyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione?
The molecular formula of (S)-2-(2-chlorobenzyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione is C14H15ClN2O2.
What is the molecular weight of (S)-2-(2-chlorobenzyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione?
The molecular weight of (S)-2-(2-chlorobenzyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione is 278.08 g/mol.
Where can I buy (S)-2-(2-chlorobenzyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione?
You can request a quote for (S)-2-(2-chlorobenzyl)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 (S)-2-(2-chlorobenzyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for (S)-2-(2-chlorobenzyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.