1-(4-Nitrophenyl)azetidine
TL;DR: 1-(4-Nitrophenyl)azetidine (CAS 31947-44-1) is a chemical compound with molecular formula C9H10N2O2 and molecular weight 178.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-nitrophenyl)azetidine
Also Known As: 1-(4-Nitrophenyl)azetidine, 1- -AZETIDINE, 1-(4-nitrophenyl)-azetidine, Azetidine, 1-(4-nitrophenyl)-, 1-(4-Nitrophenyl)azetidine #
| Molecular Formula | C9H10N2O2 |
|---|---|
| Molecular Weight | 178.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 178.07423 |
| Heavy Atoms | 13 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 31947-44-1 |
|---|---|
| SMILES | C1CN(C1)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | VMHKWGVWFFLAGN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-Nitrophenyl)azetidine (CAS 31947-44-1), with molecular formula C9H10N2O2 and molecular weight 178.07 g/mol. IUPAC: 1-(4-nitrophenyl)azetidine.
Chemical Property Profile of 1-(4-Nitrophenyl)azetidine
Property Insights of 1-(4-Nitrophenyl)azetidine
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Nitrophenyl)azetidine. With a topological polar surface area (TPSA) of 49.1 Ų, 1-(4-Nitrophenyl)azetidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Nitrophenyl)azetidine has 0 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 1-(4-Nitrophenyl)azetidine?
The CAS number of 1-(4-Nitrophenyl)azetidine is 31947-44-1.
What is the molecular formula of 1-(4-Nitrophenyl)azetidine?
The molecular formula of 1-(4-Nitrophenyl)azetidine is C9H10N2O2.
What is the molecular weight of 1-(4-Nitrophenyl)azetidine?
The molecular weight of 1-(4-Nitrophenyl)azetidine is 178.07 g/mol.
Where can I buy 1-(4-Nitrophenyl)azetidine?
You can request a quote for 1-(4-Nitrophenyl)azetidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Nitrophenyl)azetidine?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Nitrophenyl)azetidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.