trans-2-(4-Nitrophenyl)-3-phenyloxirane
TL;DR: trans-2-(4-Nitrophenyl)-3-phenyloxirane (CAS 178979-88-9) is a chemical compound with molecular formula C14H11NO3 and molecular weight 241.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S)-2-(4-nitrophenyl)-3-phenyloxirane
Also Known As: trans-4-Nitrostilbene oxide, p-Nitrostilbene oxide, trans-, trans-2-(4-Nitrophenyl)-3-phenyloxirane, trans-p-nitrostilbene oxide, (2s,3s)-2-(4-nitrophenyl)-3-phenyloxirane
| Molecular Formula | C14H11NO3 |
|---|---|
| Molecular Weight | 241.07 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 58.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 241.0739 |
| Heavy Atoms | 18 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 178979-88-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)[C@H]2[C@@H](O2)C3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | YUZKNYLREGXARL-KBPBESRZSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
trans-2-(4-Nitrophenyl)-3-phenyloxirane (CAS 178979-88-9), with molecular formula C14H11NO3 and molecular weight 241.07 g/mol. IUPAC: (2S,3S)-2-(4-nitrophenyl)-3-phenyloxirane.
Chemical Property Profile of trans-2-(4-Nitrophenyl)-3-phenyloxirane
Property Insights of trans-2-(4-Nitrophenyl)-3-phenyloxirane
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for trans-2-(4-Nitrophenyl)-3-phenyloxirane. With a topological polar surface area (TPSA) of 58.4 Ų, trans-2-(4-Nitrophenyl)-3-phenyloxirane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans-2-(4-Nitrophenyl)-3-phenyloxirane 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 trans-2-(4-Nitrophenyl)-3-phenyloxirane?
The CAS number of trans-2-(4-Nitrophenyl)-3-phenyloxirane is 178979-88-9.
What is the molecular formula of trans-2-(4-Nitrophenyl)-3-phenyloxirane?
The molecular formula of trans-2-(4-Nitrophenyl)-3-phenyloxirane is C14H11NO3.
What is the molecular weight of trans-2-(4-Nitrophenyl)-3-phenyloxirane?
The molecular weight of trans-2-(4-Nitrophenyl)-3-phenyloxirane is 241.07 g/mol.
Where can I buy trans-2-(4-Nitrophenyl)-3-phenyloxirane?
You can request a quote for trans-2-(4-Nitrophenyl)-3-phenyloxirane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-2-(4-Nitrophenyl)-3-phenyloxirane?
Yes, KEHONG BIO provides custom synthesis services for trans-2-(4-Nitrophenyl)-3-phenyloxirane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.