1-Bromo-2-naphthyl 3-bromo-4-methoxybenzoate
TL;DR: 1-Bromo-2-naphthyl 3-bromo-4-methoxybenzoate (CAS 445408-99-1) is a chemical compound with molecular formula C18H12Br2O3 and molecular weight 433.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-bromonaphthalen-2-yl) 3-bromo-4-methoxybenzoate
Also Known As: 1-bromo-2-naphthyl 3-bromo-4-methoxybenzoate, (1-bromonaphthalen-2-yl) 3-bromo-4-methoxybenzoate, 1-bromonaphthalen-2-yl 3-bromo-4-methoxybenzoate, AN-329/40887436
| Molecular Formula | C18H12Br2O3 |
|---|---|
| Molecular Weight | 433.92 g/mol |
| LogP | 5.5926 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 433.9153 |
| Heavy Atoms | 23 |
| Complexity | 890.56915 |
Chemical Identifiers
| CAS Number | 445408-99-1 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)Br)Br |
Product Overview
1-Bromo-2-naphthyl 3-bromo-4-methoxybenzoate (CAS 445408-99-1), with molecular formula C18H12Br2O3 and molecular weight 433.92 g/mol. IUPAC: (1-bromonaphthalen-2-yl) 3-bromo-4-methoxybenzoate.
Chemical Property Profile of 1-Bromo-2-naphthyl 3-bromo-4-methoxybenzoate
Property Insights of 1-Bromo-2-naphthyl 3-bromo-4-methoxybenzoate
The XLogP value of 5.5926 indicates that 1-Bromo-2-naphthyl 3-bromo-4-methoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, 1-Bromo-2-naphthyl 3-bromo-4-methoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromo-2-naphthyl 3-bromo-4-methoxybenzoate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Bromo-2-naphthyl 3-bromo-4-methoxybenzoate?
The CAS number of 1-Bromo-2-naphthyl 3-bromo-4-methoxybenzoate is 445408-99-1.
What is the molecular formula of 1-Bromo-2-naphthyl 3-bromo-4-methoxybenzoate?
The molecular formula of 1-Bromo-2-naphthyl 3-bromo-4-methoxybenzoate is C18H12Br2O3.
What is the molecular weight of 1-Bromo-2-naphthyl 3-bromo-4-methoxybenzoate?
The molecular weight of 1-Bromo-2-naphthyl 3-bromo-4-methoxybenzoate is 433.92 g/mol.
Where can I buy 1-Bromo-2-naphthyl 3-bromo-4-methoxybenzoate?
You can request a quote for 1-Bromo-2-naphthyl 3-bromo-4-methoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Bromo-2-naphthyl 3-bromo-4-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 1-Bromo-2-naphthyl 3-bromo-4-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.