(4E)-4-(phenylimino)naphthalen-1(4H)-one
TL;DR: (4E)-4-(phenylimino)naphthalen-1(4H)-one (CAS 7512-49-4) is a chemical compound with molecular formula C16H11NO and molecular weight 233.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenyliminonaphthalen-1-one
Also Known As: 4-phenyliminonaphthalen-1-one, 1,4-naphthoquinone-4-phenylimine, N-Phenyl-1,4-naphthoquinone imine, (4E)-4-(phenylimino)naphthalen-1(4H)-one, 4-(Phenylimino)naphthalene-1(4H)-one
| Molecular Formula | C16H11NO |
|---|---|
| Molecular Weight | 233.08 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 29.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 233.08406 |
| Heavy Atoms | 18 |
| Complexity | 377.0 |
Chemical Identifiers
| CAS Number | 7512-49-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)N=C2C=CC(=O)C3=CC=CC=C23 |
| InChIKey | QLVZBXFOEUEIOZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(4E)-4-(phenylimino)naphthalen-1(4H)-one (CAS 7512-49-4), with molecular formula C16H11NO and molecular weight 233.08 g/mol. IUPAC: 4-phenyliminonaphthalen-1-one.
Chemical Property Profile of (4E)-4-(phenylimino)naphthalen-1(4H)-one
Property Insights of (4E)-4-(phenylimino)naphthalen-1(4H)-one
The XLogP value of 3.9 indicates that (4E)-4-(phenylimino)naphthalen-1(4H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.4 Ų, (4E)-4-(phenylimino)naphthalen-1(4H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4E)-4-(phenylimino)naphthalen-1(4H)-one 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 (4E)-4-(phenylimino)naphthalen-1(4H)-one?
The CAS number of (4E)-4-(phenylimino)naphthalen-1(4H)-one is 7512-49-4.
What is the molecular formula of (4E)-4-(phenylimino)naphthalen-1(4H)-one?
The molecular formula of (4E)-4-(phenylimino)naphthalen-1(4H)-one is C16H11NO.
What is the molecular weight of (4E)-4-(phenylimino)naphthalen-1(4H)-one?
The molecular weight of (4E)-4-(phenylimino)naphthalen-1(4H)-one is 233.08 g/mol.
Where can I buy (4E)-4-(phenylimino)naphthalen-1(4H)-one?
You can request a quote for (4E)-4-(phenylimino)naphthalen-1(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4E)-4-(phenylimino)naphthalen-1(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for (4E)-4-(phenylimino)naphthalen-1(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.