2-bromo-6,7-dimethoxy-3,4-dihydronaphthalen-1(2H)-one
TL;DR: 2-bromo-6,7-dimethoxy-3,4-dihydronaphthalen-1(2H)-one (CAS 54714-44-2) is a chemical compound with molecular formula C12H13BrO3 and molecular weight 284.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-one
Also Known As: 2-bromo-6,7-dimethoxy-3,4-dihydronaphthalen-1(2H)-one, 1(2H)-Naphthalenone, 2-bromo-3,4-dihydro-6,7-dimethoxy-, 2-bromo-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-one, 2-bromo-6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-one
| Molecular Formula | C12H13BrO3 |
|---|---|
| Molecular Weight | 284.00 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 284.00482 |
| Heavy Atoms | 16 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 54714-44-2 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)CCC(C2=O)Br)OC |
| InChIKey | LNZYJVLBKAJRTB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-bromo-6,7-dimethoxy-3,4-dihydronaphthalen-1(2H)-one (CAS 54714-44-2), with molecular formula C12H13BrO3 and molecular weight 284.00 g/mol. IUPAC: 2-bromo-6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-one.
Chemical Property Profile of 2-bromo-6,7-dimethoxy-3,4-dihydronaphthalen-1(2H)-one
Property Insights of 2-bromo-6,7-dimethoxy-3,4-dihydronaphthalen-1(2H)-one
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-bromo-6,7-dimethoxy-3,4-dihydronaphthalen-1(2H)-one. With a topological polar surface area (TPSA) of 35.5 Ų, 2-bromo-6,7-dimethoxy-3,4-dihydronaphthalen-1(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-bromo-6,7-dimethoxy-3,4-dihydronaphthalen-1(2H)-one has 0 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 2-bromo-6,7-dimethoxy-3,4-dihydronaphthalen-1(2H)-one?
The CAS number of 2-bromo-6,7-dimethoxy-3,4-dihydronaphthalen-1(2H)-one is 54714-44-2.
What is the molecular formula of 2-bromo-6,7-dimethoxy-3,4-dihydronaphthalen-1(2H)-one?
The molecular formula of 2-bromo-6,7-dimethoxy-3,4-dihydronaphthalen-1(2H)-one is C12H13BrO3.
What is the molecular weight of 2-bromo-6,7-dimethoxy-3,4-dihydronaphthalen-1(2H)-one?
The molecular weight of 2-bromo-6,7-dimethoxy-3,4-dihydronaphthalen-1(2H)-one is 284.00 g/mol.
Where can I buy 2-bromo-6,7-dimethoxy-3,4-dihydronaphthalen-1(2H)-one?
You can request a quote for 2-bromo-6,7-dimethoxy-3,4-dihydronaphthalen-1(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-bromo-6,7-dimethoxy-3,4-dihydronaphthalen-1(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-bromo-6,7-dimethoxy-3,4-dihydronaphthalen-1(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.