2-(4-Nitrophenyl)oxirane
TL;DR: 2-(4-Nitrophenyl)oxirane (CAS 6388-74-5) is a chemical compound with molecular formula C8H7NO3 and molecular weight 165.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-nitrophenyl)oxirane
Also Known As: 2-(4-nitrophenyl)oxirane, (p-Nitrophenyl)oxirane, p-Nitrostyrene oxide, 4-Nitrostyrene oxide, Oxirane, (4-nitrophenyl)-
| Molecular Formula | C8H7NO3 |
|---|---|
| Molecular Weight | 165.04 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 58.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 165.04259 |
| Heavy Atoms | 12 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 6388-74-5 |
|---|---|
| SMILES | C1C(O1)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | YKIUTLHCSNCTDZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-Nitrophenyl)oxirane (CAS 6388-74-5), with molecular formula C8H7NO3 and molecular weight 165.04 g/mol. IUPAC: 2-(4-nitrophenyl)oxirane.
Chemical Property Profile of 2-(4-Nitrophenyl)oxirane
Property Insights of 2-(4-Nitrophenyl)oxirane
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Nitrophenyl)oxirane. With a topological polar surface area (TPSA) of 58.4 Ų, 2-(4-Nitrophenyl)oxirane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Nitrophenyl)oxirane 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 2-(4-Nitrophenyl)oxirane?
The CAS number of 2-(4-Nitrophenyl)oxirane is 6388-74-5.
What is the molecular formula of 2-(4-Nitrophenyl)oxirane?
The molecular formula of 2-(4-Nitrophenyl)oxirane is C8H7NO3.
What is the molecular weight of 2-(4-Nitrophenyl)oxirane?
The molecular weight of 2-(4-Nitrophenyl)oxirane is 165.04 g/mol.
Where can I buy 2-(4-Nitrophenyl)oxirane?
You can request a quote for 2-(4-Nitrophenyl)oxirane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Nitrophenyl)oxirane?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Nitrophenyl)oxirane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.