2-(3-iodobenzylidene)-7-methoxy-3,4-dihydro-1(2H)-naphthalenone
TL;DR: 2-(3-iodobenzylidene)-7-methoxy-3,4-dihydro-1(2H)-naphthalenone (CAS 5612-63-5) is a chemical compound with molecular formula C18H15IO2 and molecular weight 390.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-2-[(3-iodophenyl)methylidene]-7-methoxy-3,4-dihydronaphthalen-1-one
Also Known As: BIM-0025964.P001, AI-346/11356031, 2-(3-iodobenzylidene)-7-methoxy-3,4-dihydro-1(2H)-naphthalenone, (2E)-2-[(3-iodophenyl)methylidene]-7-methoxy-3,4-dihydronaphthalen-1-one
| Molecular Formula | C18H15IO2 |
|---|---|
| Molecular Weight | 390.01 g/mol |
| LogP | 4.5123 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 390.0117 |
| Heavy Atoms | 21 |
| Complexity | 731.7482 |
Chemical Identifiers
| CAS Number | 5612-63-5 |
|---|---|
| SMILES | COC1=CC2=C(CC/C(=C\C3=CC(=CC=C3)I)/C2=O)C=C1 |
Product Overview
2-(3-iodobenzylidene)-7-methoxy-3,4-dihydro-1(2H)-naphthalenone (CAS 5612-63-5), with molecular formula C18H15IO2 and molecular weight 390.01 g/mol. IUPAC: (2E)-2-[(3-iodophenyl)methylidene]-7-methoxy-3,4-dihydronaphthalen-1-one.
Chemical Property Profile of 2-(3-iodobenzylidene)-7-methoxy-3,4-dihydro-1(2H)-naphthalenone
Property Insights of 2-(3-iodobenzylidene)-7-methoxy-3,4-dihydro-1(2H)-naphthalenone
The XLogP value of 4.5123 indicates that 2-(3-iodobenzylidene)-7-methoxy-3,4-dihydro-1(2H)-naphthalenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2-(3-iodobenzylidene)-7-methoxy-3,4-dihydro-1(2H)-naphthalenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-iodobenzylidene)-7-methoxy-3,4-dihydro-1(2H)-naphthalenone 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 2-(3-iodobenzylidene)-7-methoxy-3,4-dihydro-1(2H)-naphthalenone?
The CAS number of 2-(3-iodobenzylidene)-7-methoxy-3,4-dihydro-1(2H)-naphthalenone is 5612-63-5.
What is the molecular formula of 2-(3-iodobenzylidene)-7-methoxy-3,4-dihydro-1(2H)-naphthalenone?
The molecular formula of 2-(3-iodobenzylidene)-7-methoxy-3,4-dihydro-1(2H)-naphthalenone is C18H15IO2.
What is the molecular weight of 2-(3-iodobenzylidene)-7-methoxy-3,4-dihydro-1(2H)-naphthalenone?
The molecular weight of 2-(3-iodobenzylidene)-7-methoxy-3,4-dihydro-1(2H)-naphthalenone is 390.01 g/mol.
Where can I buy 2-(3-iodobenzylidene)-7-methoxy-3,4-dihydro-1(2H)-naphthalenone?
You can request a quote for 2-(3-iodobenzylidene)-7-methoxy-3,4-dihydro-1(2H)-naphthalenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-iodobenzylidene)-7-methoxy-3,4-dihydro-1(2H)-naphthalenone?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-iodobenzylidene)-7-methoxy-3,4-dihydro-1(2H)-naphthalenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.