(3S,6S)-3-benzyl-6-(hydroxymethyl)piperazine-2,5-dione
TL;DR: (3S,6S)-3-benzyl-6-(hydroxymethyl)piperazine-2,5-dione (CAS 35591-00-5) is a chemical compound with molecular formula C12H14N2O3 and molecular weight 234.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,6S)-3-benzyl-6-(hydroxymethyl)piperazine-2,5-dione
Also Known As: CYCLO(-PHE-SER), Cyclo(Phe-Ser), cyclo-(phe-ser), Cyclo(-L-Phe-L-Ser), Cyclo(Phe-Ser-)
| Molecular Formula | C12H14N2O3 |
|---|---|
| Molecular Weight | 234.10 g/mol |
| LogP | -0.7954 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.10045 |
| Heavy Atoms | 17 |
| Complexity | 419.01874 |
Chemical Identifiers
| CAS Number | 35591-00-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C[C@H]2C(=O)N[C@H](C(=O)N2)CO |
Product Overview
(3S,6S)-3-benzyl-6-(hydroxymethyl)piperazine-2,5-dione (CAS 35591-00-5), with molecular formula C12H14N2O3 and molecular weight 234.10 g/mol. IUPAC: (3S,6S)-3-benzyl-6-(hydroxymethyl)piperazine-2,5-dione.
Chemical Property Profile of (3S,6S)-3-benzyl-6-(hydroxymethyl)piperazine-2,5-dione
Property Insights of (3S,6S)-3-benzyl-6-(hydroxymethyl)piperazine-2,5-dione
The XLogP value of -0.7954 indicates that (3S,6S)-3-benzyl-6-(hydroxymethyl)piperazine-2,5-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 78.43 Ų falls within the moderate polarity range, balancing permeability and solubility for (3S,6S)-3-benzyl-6-(hydroxymethyl)piperazine-2,5-dione. Following Lipinski's Rule of Five, (3S,6S)-3-benzyl-6-(hydroxymethyl)piperazine-2,5-dione has 3 hydrogen bond donor(s) and 3 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,6S)-3-benzyl-6-(hydroxymethyl)piperazine-2,5-dione?
The CAS number of (3S,6S)-3-benzyl-6-(hydroxymethyl)piperazine-2,5-dione is 35591-00-5.
What is the molecular formula of (3S,6S)-3-benzyl-6-(hydroxymethyl)piperazine-2,5-dione?
The molecular formula of (3S,6S)-3-benzyl-6-(hydroxymethyl)piperazine-2,5-dione is C12H14N2O3.
What is the molecular weight of (3S,6S)-3-benzyl-6-(hydroxymethyl)piperazine-2,5-dione?
The molecular weight of (3S,6S)-3-benzyl-6-(hydroxymethyl)piperazine-2,5-dione is 234.10 g/mol.
Where can I buy (3S,6S)-3-benzyl-6-(hydroxymethyl)piperazine-2,5-dione?
You can request a quote for (3S,6S)-3-benzyl-6-(hydroxymethyl)piperazine-2,5-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3S,6S)-3-benzyl-6-(hydroxymethyl)piperazine-2,5-dione?
Yes, KEHONG BIO provides custom synthesis services for (3S,6S)-3-benzyl-6-(hydroxymethyl)piperazine-2,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.