(3S-trans)-3-benzylhexahydropyrrolo(1,2-a)pyrazine-1,4-dione
TL;DR: (3S-trans)-3-benzylhexahydropyrrolo(1,2-a)pyrazine-1,4-dione (CAS 14705-60-3) is a chemical compound with molecular formula C14H16N2O2 and molecular weight 244.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
Also Known As: Cyclo(Phe-Pro), Cyclo(L-Phe-L-Pro), Cyclo(-Phe-Pro), cyclo(D-Phe-L-Pro), Phe-pro-diketopiperazine
| Molecular Formula | C14H16N2O2 |
|---|---|
| Molecular Weight | 244.12 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 244.12119 |
| Heavy Atoms | 18 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 14705-60-3 |
|---|---|
| SMILES | C1CC2C(=O)NC(C(=O)N2C1)CC3=CC=CC=C3 |
| InChIKey | QZBUWPVZSXDWSB-UHFFFAOYSA-N |
Product Overview
(3S-trans)-3-benzylhexahydropyrrolo(1,2-a)pyrazine-1,4-dione (CAS 14705-60-3), with molecular formula C14H16N2O2 and molecular weight 244.12 g/mol. IUPAC: 3-benzyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione.
Chemical Property Profile of (3S-trans)-3-benzylhexahydropyrrolo(1,2-a)pyrazine-1,4-dione
Property Insights of (3S-trans)-3-benzylhexahydropyrrolo(1,2-a)pyrazine-1,4-dione
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S-trans)-3-benzylhexahydropyrrolo(1,2-a)pyrazine-1,4-dione. With a topological polar surface area (TPSA) of 49.4 Ų, (3S-trans)-3-benzylhexahydropyrrolo(1,2-a)pyrazine-1,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3S-trans)-3-benzylhexahydropyrrolo(1,2-a)pyrazine-1,4-dione has 1 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-trans)-3-benzylhexahydropyrrolo(1,2-a)pyrazine-1,4-dione?
The CAS number of (3S-trans)-3-benzylhexahydropyrrolo(1,2-a)pyrazine-1,4-dione is 14705-60-3.
What is the molecular formula of (3S-trans)-3-benzylhexahydropyrrolo(1,2-a)pyrazine-1,4-dione?
The molecular formula of (3S-trans)-3-benzylhexahydropyrrolo(1,2-a)pyrazine-1,4-dione is C14H16N2O2.
What is the molecular weight of (3S-trans)-3-benzylhexahydropyrrolo(1,2-a)pyrazine-1,4-dione?
The molecular weight of (3S-trans)-3-benzylhexahydropyrrolo(1,2-a)pyrazine-1,4-dione is 244.12 g/mol.
Where can I buy (3S-trans)-3-benzylhexahydropyrrolo(1,2-a)pyrazine-1,4-dione?
You can request a quote for (3S-trans)-3-benzylhexahydropyrrolo(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-trans)-3-benzylhexahydropyrrolo(1,2-a)pyrazine-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for (3S-trans)-3-benzylhexahydropyrrolo(1,2-a)pyrazine-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.