1-Nitroso-4-benzoyl-3,5-dimethylpiperazine
TL;DR: 1-Nitroso-4-benzoyl-3,5-dimethylpiperazine (CAS 61034-40-0) is a chemical compound with molecular formula C13H17N3O2 and molecular weight 247.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,6-dimethyl-4-nitrosopiperazin-1-yl)-phenylmethanone
Also Known As: 4-Benzoyl-3,5-dimethyl N-nitrosopiperazine, 4-Benzoyl-3,5-dimethyl-N-nitrosopiperazine, 1-Benzoyl-2,6-dimethyl-4-nitrosopiperazine, 1-Nitroso-3,5-dimethyl-4-benzoylpiperazine, 1-Nitroso-4-benzoyl-3,5-dimethylpiperazine
| Molecular Formula | C13H17N3O2 |
|---|---|
| Molecular Weight | 247.13 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 53.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 247.13208 |
| Heavy Atoms | 18 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 61034-40-0 |
|---|---|
| SMILES | CC1CN(CC(N1C(=O)C2=CC=CC=C2)C)N=O |
| InChIKey | FDCJUXDANKKYRM-UHFFFAOYSA-N |
Product Overview
1-Nitroso-4-benzoyl-3,5-dimethylpiperazine (CAS 61034-40-0), with molecular formula C13H17N3O2 and molecular weight 247.13 g/mol. IUPAC: (2,6-dimethyl-4-nitrosopiperazin-1-yl)-phenylmethanone.
Chemical Property Profile of 1-Nitroso-4-benzoyl-3,5-dimethylpiperazine
Property Insights of 1-Nitroso-4-benzoyl-3,5-dimethylpiperazine
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Nitroso-4-benzoyl-3,5-dimethylpiperazine. With a topological polar surface area (TPSA) of 53.0 Ų, 1-Nitroso-4-benzoyl-3,5-dimethylpiperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Nitroso-4-benzoyl-3,5-dimethylpiperazine 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-4-benzoyl-3,5-dimethylpiperazine?
The CAS number of 1-Nitroso-4-benzoyl-3,5-dimethylpiperazine is 61034-40-0.
What is the molecular formula of 1-Nitroso-4-benzoyl-3,5-dimethylpiperazine?
The molecular formula of 1-Nitroso-4-benzoyl-3,5-dimethylpiperazine is C13H17N3O2.
What is the molecular weight of 1-Nitroso-4-benzoyl-3,5-dimethylpiperazine?
The molecular weight of 1-Nitroso-4-benzoyl-3,5-dimethylpiperazine is 247.13 g/mol.
Where can I buy 1-Nitroso-4-benzoyl-3,5-dimethylpiperazine?
You can request a quote for 1-Nitroso-4-benzoyl-3,5-dimethylpiperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Nitroso-4-benzoyl-3,5-dimethylpiperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-Nitroso-4-benzoyl-3,5-dimethylpiperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.