6-Bromo-2-naphthyl 3,4-dimethoxybenzoate
TL;DR: 6-Bromo-2-naphthyl 3,4-dimethoxybenzoate (CAS 713098-48-7) is a chemical compound with molecular formula C19H15BrO4 and molecular weight 386.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-bromonaphthalen-2-yl) 3,4-dimethoxybenzoate
Also Known As: 6-bromo-2-naphthyl 3,4-dimethoxybenzoate, (6-bromonaphthalen-2-yl) 3,4-dimethoxybenzoate
| Molecular Formula | C19H15BrO4 |
|---|---|
| Molecular Weight | 386.02 g/mol |
| LogP | 4.8387 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 386.01538 |
| Heavy Atoms | 24 |
| Complexity | 905.00745 |
Chemical Identifiers
| CAS Number | 713098-48-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)OC2=CC3=C(C=C2)C=C(C=C3)Br)OC |
Product Overview
6-Bromo-2-naphthyl 3,4-dimethoxybenzoate (CAS 713098-48-7), with molecular formula C19H15BrO4 and molecular weight 386.02 g/mol. IUPAC: (6-bromonaphthalen-2-yl) 3,4-dimethoxybenzoate.
Chemical Property Profile of 6-Bromo-2-naphthyl 3,4-dimethoxybenzoate
Property Insights of 6-Bromo-2-naphthyl 3,4-dimethoxybenzoate
The XLogP value of 4.8387 indicates that 6-Bromo-2-naphthyl 3,4-dimethoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.76 Ų, 6-Bromo-2-naphthyl 3,4-dimethoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Bromo-2-naphthyl 3,4-dimethoxybenzoate has 0 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 6-Bromo-2-naphthyl 3,4-dimethoxybenzoate?
The CAS number of 6-Bromo-2-naphthyl 3,4-dimethoxybenzoate is 713098-48-7.
What is the molecular formula of 6-Bromo-2-naphthyl 3,4-dimethoxybenzoate?
The molecular formula of 6-Bromo-2-naphthyl 3,4-dimethoxybenzoate is C19H15BrO4.
What is the molecular weight of 6-Bromo-2-naphthyl 3,4-dimethoxybenzoate?
The molecular weight of 6-Bromo-2-naphthyl 3,4-dimethoxybenzoate is 386.02 g/mol.
Where can I buy 6-Bromo-2-naphthyl 3,4-dimethoxybenzoate?
You can request a quote for 6-Bromo-2-naphthyl 3,4-dimethoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Bromo-2-naphthyl 3,4-dimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 6-Bromo-2-naphthyl 3,4-dimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.