1-Nitroso-3,4,5-trimethylpiperazine
TL;DR: 1-Nitroso-3,4,5-trimethylpiperazine (CAS 96687-77-3) is a chemical compound with molecular formula C7H15N3O and molecular weight 157.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,6S)-1,2,6-trimethyl-4-nitrosopiperazine
Also Known As: 1-Ntmp, Piperazine, 1,2,6-trimethyl-4-nitroso-, cis-, 1-Nitroso-3,4,5-trimethylpiperazine, (2S,6R)-1,2,6-trimethyl-4-nitrosopiperazine, 1,2,6-Trimethyl-4-nitrosopiperazine
| Molecular Formula | C7H15N3O |
|---|---|
| Molecular Weight | 157.12 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 35.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 157.1215 |
| Heavy Atoms | 11 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 96687-77-3 |
|---|---|
| SMILES | C[C@@H]1CN(C[C@@H](N1C)C)N=O |
| InChIKey | MPIROZKBCRIFBH-KNVOCYPGSA-N |
Product Overview
1-Nitroso-3,4,5-trimethylpiperazine (CAS 96687-77-3), with molecular formula C7H15N3O and molecular weight 157.12 g/mol. IUPAC: (2R,6S)-1,2,6-trimethyl-4-nitrosopiperazine.
Chemical Property Profile of 1-Nitroso-3,4,5-trimethylpiperazine
Property Insights of 1-Nitroso-3,4,5-trimethylpiperazine
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Nitroso-3,4,5-trimethylpiperazine. With a topological polar surface area (TPSA) of 35.9 Ų, 1-Nitroso-3,4,5-trimethylpiperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Nitroso-3,4,5-trimethylpiperazine has 0 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 1-Nitroso-3,4,5-trimethylpiperazine?
The CAS number of 1-Nitroso-3,4,5-trimethylpiperazine is 96687-77-3.
What is the molecular formula of 1-Nitroso-3,4,5-trimethylpiperazine?
The molecular formula of 1-Nitroso-3,4,5-trimethylpiperazine is C7H15N3O.
What is the molecular weight of 1-Nitroso-3,4,5-trimethylpiperazine?
The molecular weight of 1-Nitroso-3,4,5-trimethylpiperazine is 157.12 g/mol.
Where can I buy 1-Nitroso-3,4,5-trimethylpiperazine?
You can request a quote for 1-Nitroso-3,4,5-trimethylpiperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Nitroso-3,4,5-trimethylpiperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-Nitroso-3,4,5-trimethylpiperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.