1-Oxo-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalene oxime
TL;DR: 1-Oxo-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalene oxime (CAS 52401-41-9) is a chemical compound with molecular formula C12H15NO3 and molecular weight 221.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
Also Known As: 1-Oxo-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalene oxime, 1(2H)-Naphthalenone, 3,4-dihydro-6,7-dimethoxy-, oxime, N-(6,7-Dimethoxy-3,4-dihydronaphthalen-1(2H)-ylidene)hydroxylamine, N-(6,7-DIMETHOXY-3,4-DIHYDRO-2H-NAPHTHALEN-1-YLIDENE)HYDROXYLAMINE, RefChem:232864
| Molecular Formula | C12H15NO3 |
|---|---|
| Molecular Weight | 221.11 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 51.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.1052 |
| Heavy Atoms | 16 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 52401-41-9 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)CCCC2=NO)OC |
| InChIKey | PYZJFASRHCPXNX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Oxo-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalene oxime (CAS 52401-41-9), with molecular formula C12H15NO3 and molecular weight 221.11 g/mol. IUPAC: N-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine.
Chemical Property Profile of 1-Oxo-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalene oxime
Property Insights of 1-Oxo-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalene oxime
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Oxo-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalene oxime. With a topological polar surface area (TPSA) of 51.1 Ų, 1-Oxo-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalene oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Oxo-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalene oxime has 1 hydrogen bond donor(s) and 4 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 1-Oxo-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalene oxime?
The CAS number of 1-Oxo-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalene oxime is 52401-41-9.
What is the molecular formula of 1-Oxo-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalene oxime?
The molecular formula of 1-Oxo-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalene oxime is C12H15NO3.
What is the molecular weight of 1-Oxo-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalene oxime?
The molecular weight of 1-Oxo-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalene oxime is 221.11 g/mol.
Where can I buy 1-Oxo-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalene oxime?
You can request a quote for 1-Oxo-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalene oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Oxo-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalene oxime?
Yes, KEHONG BIO provides custom synthesis services for 1-Oxo-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalene oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.