(3S,8aS)-Hexahydro-2-methyl-3-(phenylmethyl)pyrrolo(1,2-a)pyrazine-1,4-dione
TL;DR: (3S,8aS)-Hexahydro-2-methyl-3-(phenylmethyl)pyrrolo(1,2-a)pyrazine-1,4-dione (CAS 37553-66-5) is a chemical compound with molecular formula C15H18N2O2 and molecular weight 258.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,8aS)-3-benzyl-2-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
Also Known As: Cyclo(pro-(N-Me)phe), Cyclo(prolyl-N-methylphenylalanyl), Cyclo(L-pro-L-(N-Me)phe), Cyclo(L-prolyl-L-N-methylphenylalanyl), Cyclo(L-Pro-N-methyl-L-Phe-)
| Molecular Formula | C15H18N2O2 |
|---|---|
| Molecular Weight | 258.14 g/mol |
| LogP | 1.0607 |
| Topological Polar Surface Area | 40.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.13684 |
| Heavy Atoms | 19 |
| Complexity | 500.12686 |
Chemical Identifiers
| CAS Number | 37553-66-5 |
|---|---|
| SMILES | CN1[C@H](C(=O)N2CCC[C@H]2C1=O)CC3=CC=CC=C3 |
Product Overview
(3S,8aS)-Hexahydro-2-methyl-3-(phenylmethyl)pyrrolo(1,2-a)pyrazine-1,4-dione (CAS 37553-66-5), with molecular formula C15H18N2O2 and molecular weight 258.14 g/mol. IUPAC: (3S,8aS)-3-benzyl-2-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione.
Chemical Property Profile of (3S,8aS)-Hexahydro-2-methyl-3-(phenylmethyl)pyrrolo(1,2-a)pyrazine-1,4-dione
Property Insights of (3S,8aS)-Hexahydro-2-methyl-3-(phenylmethyl)pyrrolo(1,2-a)pyrazine-1,4-dione
The XLogP value of 1.0607 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S,8aS)-Hexahydro-2-methyl-3-(phenylmethyl)pyrrolo(1,2-a)pyrazine-1,4-dione. With a topological polar surface area (TPSA) of 40.62 Ų, (3S,8aS)-Hexahydro-2-methyl-3-(phenylmethyl)pyrrolo(1,2-a)pyrazine-1,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3S,8aS)-Hexahydro-2-methyl-3-(phenylmethyl)pyrrolo(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 (3S,8aS)-Hexahydro-2-methyl-3-(phenylmethyl)pyrrolo(1,2-a)pyrazine-1,4-dione?
The CAS number of (3S,8aS)-Hexahydro-2-methyl-3-(phenylmethyl)pyrrolo(1,2-a)pyrazine-1,4-dione is 37553-66-5.
What is the molecular formula of (3S,8aS)-Hexahydro-2-methyl-3-(phenylmethyl)pyrrolo(1,2-a)pyrazine-1,4-dione?
The molecular formula of (3S,8aS)-Hexahydro-2-methyl-3-(phenylmethyl)pyrrolo(1,2-a)pyrazine-1,4-dione is C15H18N2O2.
What is the molecular weight of (3S,8aS)-Hexahydro-2-methyl-3-(phenylmethyl)pyrrolo(1,2-a)pyrazine-1,4-dione?
The molecular weight of (3S,8aS)-Hexahydro-2-methyl-3-(phenylmethyl)pyrrolo(1,2-a)pyrazine-1,4-dione is 258.14 g/mol.
Where can I buy (3S,8aS)-Hexahydro-2-methyl-3-(phenylmethyl)pyrrolo(1,2-a)pyrazine-1,4-dione?
You can request a quote for (3S,8aS)-Hexahydro-2-methyl-3-(phenylmethyl)pyrrolo(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 (3S,8aS)-Hexahydro-2-methyl-3-(phenylmethyl)pyrrolo(1,2-a)pyrazine-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for (3S,8aS)-Hexahydro-2-methyl-3-(phenylmethyl)pyrrolo(1,2-a)pyrazine-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.