NCIOpen2_007213
TL;DR: NCIOpen2_007213 (CAS 3585-93-1) is a chemical compound with molecular formula C14H13NO2 and molecular weight 227.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methoxyphenyl)-N-phenylmethanimine oxide
Also Known As: NCIOpen2_007213, 1-(4-methoxyphenyl)-N-phenylmethanimine oxide, Nitrone, alpha-(p-methoxyphenyl)-N-phenyl-, Nitrone, .alpha.-(p-methoxyphenyl)-N-phenyl-, (Z)-(4-methoxyphenyl)methylidene-oxido-phenyl-azanium
| Molecular Formula | C14H13NO2 |
|---|---|
| Molecular Weight | 227.09 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 38.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 227.09464 |
| Heavy Atoms | 17 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 3585-93-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C=[N+](C2=CC=CC=C2)[O-] |
| InChIKey | GIBHBSRKHBYUKU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
NCIOpen2_007213 (CAS 3585-93-1), with molecular formula C14H13NO2 and molecular weight 227.09 g/mol. IUPAC: 1-(4-methoxyphenyl)-N-phenylmethanimine oxide.
Chemical Property Profile of NCIOpen2_007213
Property Insights of NCIOpen2_007213
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCIOpen2_007213. With a topological polar surface area (TPSA) of 38.0 Ų, NCIOpen2_007213 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NCIOpen2_007213 has 0 hydrogen bond donor(s) and 2 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 NCIOpen2_007213?
The CAS number of NCIOpen2_007213 is 3585-93-1.
What is the molecular formula of NCIOpen2_007213?
The molecular formula of NCIOpen2_007213 is C14H13NO2.
What is the molecular weight of NCIOpen2_007213?
The molecular weight of NCIOpen2_007213 is 227.09 g/mol.
Where can I buy NCIOpen2_007213?
You can request a quote for NCIOpen2_007213 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIOpen2_007213?
Yes, KEHONG BIO provides custom synthesis services for NCIOpen2_007213 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.