3,4-Dihydro-2-(hydroxymethylene)-6-methoxy-1(2H)-naphthalenone
TL;DR: 3,4-Dihydro-2-(hydroxymethylene)-6-methoxy-1(2H)-naphthalenone (CAS 68950-67-4) is a chemical compound with molecular formula C12H12O3 and molecular weight 204.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(hydroxymethylidene)-6-methoxy-3,4-dihydronaphthalen-1-one
Also Known As: NCIOpen2_006635, 2-Hydroxymethylene-6-Methoxy-1-Tetralone, 2-(hydroxymethylidene)-6-methoxy-3,4-dihydronaphthalen-1-one, 3,4-Dihydro-2-(hydroxymethylene)-6-methoxy-1(2H)-naphthalenone, 1-hydroxy-6-methoxy-3,4-dihydronaphthalene-2-carbaldehyde
| Molecular Formula | C12H12O3 |
|---|---|
| Molecular Weight | 204.08 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.07864 |
| Heavy Atoms | 15 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 68950-67-4 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)C(=O)C(=CO)CC2 |
| InChIKey | DLZNDSMSFGMMHU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Dihydro-2-(hydroxymethylene)-6-methoxy-1(2H)-naphthalenone (CAS 68950-67-4), with molecular formula C12H12O3 and molecular weight 204.08 g/mol. IUPAC: 2-(hydroxymethylidene)-6-methoxy-3,4-dihydronaphthalen-1-one.
Chemical Property Profile of 3,4-Dihydro-2-(hydroxymethylene)-6-methoxy-1(2H)-naphthalenone
Property Insights of 3,4-Dihydro-2-(hydroxymethylene)-6-methoxy-1(2H)-naphthalenone
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dihydro-2-(hydroxymethylene)-6-methoxy-1(2H)-naphthalenone. With a topological polar surface area (TPSA) of 46.5 Ų, 3,4-Dihydro-2-(hydroxymethylene)-6-methoxy-1(2H)-naphthalenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dihydro-2-(hydroxymethylene)-6-methoxy-1(2H)-naphthalenone has 1 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 3,4-Dihydro-2-(hydroxymethylene)-6-methoxy-1(2H)-naphthalenone?
The CAS number of 3,4-Dihydro-2-(hydroxymethylene)-6-methoxy-1(2H)-naphthalenone is 68950-67-4.
What is the molecular formula of 3,4-Dihydro-2-(hydroxymethylene)-6-methoxy-1(2H)-naphthalenone?
The molecular formula of 3,4-Dihydro-2-(hydroxymethylene)-6-methoxy-1(2H)-naphthalenone is C12H12O3.
What is the molecular weight of 3,4-Dihydro-2-(hydroxymethylene)-6-methoxy-1(2H)-naphthalenone?
The molecular weight of 3,4-Dihydro-2-(hydroxymethylene)-6-methoxy-1(2H)-naphthalenone is 204.08 g/mol.
Where can I buy 3,4-Dihydro-2-(hydroxymethylene)-6-methoxy-1(2H)-naphthalenone?
You can request a quote for 3,4-Dihydro-2-(hydroxymethylene)-6-methoxy-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 3,4-Dihydro-2-(hydroxymethylene)-6-methoxy-1(2H)-naphthalenone?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dihydro-2-(hydroxymethylene)-6-methoxy-1(2H)-naphthalenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.