p-Nitrophenyl 1-azetidinecarboxylate
TL;DR: p-Nitrophenyl 1-azetidinecarboxylate (CAS 114774-79-7) is a chemical compound with molecular formula C10H10N2O4 and molecular weight 222.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl) azetidine-1-carboxylate
Also Known As: p-Nitrophenyl 1-azetidinecarboxylate, 4-Nitrophenyl 1-azetidinecarboxylate, 4-nitrophenyl azetidine-1-carboxylate, 4-Nitrophenyl 1-azetidinecarboxylate #, (4-nitrophenyl) azetidine-1-carboxylate
| Molecular Formula | C10H10N2O4 |
|---|---|
| Molecular Weight | 222.06 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 75.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.06406 |
| Heavy Atoms | 16 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 114774-79-7 |
|---|---|
| SMILES | C1CN(C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | RVRPZVYPEZOEKF-UHFFFAOYSA-N |
Product Overview
p-Nitrophenyl 1-azetidinecarboxylate (CAS 114774-79-7), with molecular formula C10H10N2O4 and molecular weight 222.06 g/mol. IUPAC: (4-nitrophenyl) azetidine-1-carboxylate.
Chemical Property Profile of p-Nitrophenyl 1-azetidinecarboxylate
Property Insights of p-Nitrophenyl 1-azetidinecarboxylate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for p-Nitrophenyl 1-azetidinecarboxylate. The TPSA of 75.4 Ų falls within the moderate polarity range, balancing permeability and solubility for p-Nitrophenyl 1-azetidinecarboxylate. Following Lipinski's Rule of Five, p-Nitrophenyl 1-azetidinecarboxylate 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 p-Nitrophenyl 1-azetidinecarboxylate?
The CAS number of p-Nitrophenyl 1-azetidinecarboxylate is 114774-79-7.
What is the molecular formula of p-Nitrophenyl 1-azetidinecarboxylate?
The molecular formula of p-Nitrophenyl 1-azetidinecarboxylate is C10H10N2O4.
What is the molecular weight of p-Nitrophenyl 1-azetidinecarboxylate?
The molecular weight of p-Nitrophenyl 1-azetidinecarboxylate is 222.06 g/mol.
Where can I buy p-Nitrophenyl 1-azetidinecarboxylate?
You can request a quote for p-Nitrophenyl 1-azetidinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Nitrophenyl 1-azetidinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for p-Nitrophenyl 1-azetidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.