(3S)-4-Fmoc-1-carboxymethyl-3-isobutyl-piperazin-2-one
TL;DR: (3S)-4-Fmoc-1-carboxymethyl-3-isobutyl-piperazin-2-one (CAS 959581-81-8) is a chemical compound with molecular formula C25H28N2O5 and molecular weight 436.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3S)-4-(9H-fluoren-9-ylmethoxycarbonyl)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]acetic acid
Also Known As: (3S)-4-Fmoc-1-carboxymethyl-3-isobutyl-piperazin-2-one, A-7618, 2-[(3S)-4-(9H-fluoren-9-ylmethoxycarbonyl)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]acetic acid, (3S)-4-Fmoc-1-carboxymethyl-3-isobutyl-piperazin-2-one, AldrichCPR, 2-[4-(9H-fluoren-9-ylmethoxycarbonyl)-3-(2-methylpropyl)-2-oxo-piperazin-1-yl]acetic Acid
| Molecular Formula | C25H28N2O5 |
|---|---|
| Molecular Weight | 436.20 g/mol |
| LogP | 3.579 |
| Topological Polar Surface Area | 87.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 436.19983 |
| Heavy Atoms | 32 |
| Complexity | 988.99725 |
Chemical Identifiers
| CAS Number | 959581-81-8 |
|---|---|
| SMILES | CC(C)C[C@H]1C(=O)N(CCN1C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)CC(=O)O |
Product Overview
(3S)-4-Fmoc-1-carboxymethyl-3-isobutyl-piperazin-2-one (CAS 959581-81-8), with molecular formula C25H28N2O5 and molecular weight 436.20 g/mol. IUPAC: 2-[(3S)-4-(9H-fluoren-9-ylmethoxycarbonyl)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]acetic acid.
Chemical Property Profile of (3S)-4-Fmoc-1-carboxymethyl-3-isobutyl-piperazin-2-one
Property Insights of (3S)-4-Fmoc-1-carboxymethyl-3-isobutyl-piperazin-2-one
The XLogP value of 3.579 indicates that (3S)-4-Fmoc-1-carboxymethyl-3-isobutyl-piperazin-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.15 Ų falls within the moderate polarity range, balancing permeability and solubility for (3S)-4-Fmoc-1-carboxymethyl-3-isobutyl-piperazin-2-one. Following Lipinski's Rule of Five, (3S)-4-Fmoc-1-carboxymethyl-3-isobutyl-piperazin-2-one has 1 hydrogen bond donor(s) and 4 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)-4-Fmoc-1-carboxymethyl-3-isobutyl-piperazin-2-one?
The CAS number of (3S)-4-Fmoc-1-carboxymethyl-3-isobutyl-piperazin-2-one is 959581-81-8.
What is the molecular formula of (3S)-4-Fmoc-1-carboxymethyl-3-isobutyl-piperazin-2-one?
The molecular formula of (3S)-4-Fmoc-1-carboxymethyl-3-isobutyl-piperazin-2-one is C25H28N2O5.
What is the molecular weight of (3S)-4-Fmoc-1-carboxymethyl-3-isobutyl-piperazin-2-one?
The molecular weight of (3S)-4-Fmoc-1-carboxymethyl-3-isobutyl-piperazin-2-one is 436.20 g/mol.
Where can I buy (3S)-4-Fmoc-1-carboxymethyl-3-isobutyl-piperazin-2-one?
You can request a quote for (3S)-4-Fmoc-1-carboxymethyl-3-isobutyl-piperazin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3S)-4-Fmoc-1-carboxymethyl-3-isobutyl-piperazin-2-one?
Yes, KEHONG BIO provides custom synthesis services for (3S)-4-Fmoc-1-carboxymethyl-3-isobutyl-piperazin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.