Picobenzide N-oxide
TL;DR: Picobenzide N-oxide (CAS 72583-99-4) is a chemical compound with molecular formula C15H16N2O2 and molecular weight 256.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,5-dimethylphenyl)-1-oxo-N-(pyridin-4-ylmethyl)methanamine oxide
Also Known As: Picobenzide N-oxide, M 3312-4, M-3312-4, 1-(3,5-dimethylphenyl)-1-oxo-N-(pyridin-4-ylmethyl)methanamine oxide, Benzamide, 3,5-dimethyl-N-(4-pyridinylmethyl)-, N-oxide
| Molecular Formula | C15H16N2O2 |
|---|---|
| Molecular Weight | 256.12 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 51.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 256.1212 |
| Heavy Atoms | 19 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 72583-99-4 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)C(=O)[NH+](CC2=CC=NC=C2)[O-])C |
| InChIKey | UNAPAZFPKNAOPR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Picobenzide N-oxide (CAS 72583-99-4), with molecular formula C15H16N2O2 and molecular weight 256.12 g/mol. IUPAC: 1-(3,5-dimethylphenyl)-1-oxo-N-(pyridin-4-ylmethyl)methanamine oxide.
Chemical Property Profile of Picobenzide N-oxide
Property Insights of Picobenzide N-oxide
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Picobenzide N-oxide. With a topological polar surface area (TPSA) of 51.5 Ų, Picobenzide N-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Picobenzide N-oxide has 1 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 Picobenzide N-oxide?
The CAS number of Picobenzide N-oxide is 72583-99-4.
What is the molecular formula of Picobenzide N-oxide?
The molecular formula of Picobenzide N-oxide is C15H16N2O2.
What is the molecular weight of Picobenzide N-oxide?
The molecular weight of Picobenzide N-oxide is 256.12 g/mol.
Where can I buy Picobenzide N-oxide?
You can request a quote for Picobenzide N-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Picobenzide N-oxide?
Yes, KEHONG BIO provides custom synthesis services for Picobenzide N-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.