6-Bromo-3-(2-phenylethyl)naphthalene-1,2,4-triyl triacetate
TL;DR: 6-Bromo-3-(2-phenylethyl)naphthalene-1,2,4-triyl triacetate (CAS 7471-47-8) is a chemical compound with molecular formula C24H21BrO6 and molecular weight 484.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,4-diacetyloxy-6-bromo-3-(2-phenylethyl)naphthalen-1-yl] acetate
Also Known As: 6-Bromo-3-(2-phenylethyl)naphthalene-1,2,4-triyl triacetate, (2,4-diacetyloxy-6-bromo-3-phenethylnaphthalen-1-yl) acetate, [2,4-diacetyloxy-6-bromo-3-(2-phenylethyl)naphthalen-1-yl] a
| Molecular Formula | C24H21BrO6 |
|---|---|
| Molecular Weight | 484.05 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 484.05215 |
| Heavy Atoms | 31 |
| Complexity | 646.0 |
Chemical Identifiers
| CAS Number | 7471-47-8 |
|---|---|
| SMILES | CC(=O)OC1=C(C(=C(C2=C1C=CC(=C2)Br)OC(=O)C)CCC3=CC=CC=C3)OC(=O)C |
| InChIKey | HFTKMZSBWINART-UHFFFAOYSA-N |
Product Overview
6-Bromo-3-(2-phenylethyl)naphthalene-1,2,4-triyl triacetate (CAS 7471-47-8), with molecular formula C24H21BrO6 and molecular weight 484.05 g/mol. IUPAC: [2,4-diacetyloxy-6-bromo-3-(2-phenylethyl)naphthalen-1-yl] acetate.
Chemical Property Profile of 6-Bromo-3-(2-phenylethyl)naphthalene-1,2,4-triyl triacetate
Property Insights of 6-Bromo-3-(2-phenylethyl)naphthalene-1,2,4-triyl triacetate
The XLogP value of 5.3 indicates that 6-Bromo-3-(2-phenylethyl)naphthalene-1,2,4-triyl triacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Bromo-3-(2-phenylethyl)naphthalene-1,2,4-triyl triacetate. Following Lipinski's Rule of Five, 6-Bromo-3-(2-phenylethyl)naphthalene-1,2,4-triyl triacetate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-Bromo-3-(2-phenylethyl)naphthalene-1,2,4-triyl triacetate?
The CAS number of 6-Bromo-3-(2-phenylethyl)naphthalene-1,2,4-triyl triacetate is 7471-47-8.
What is the molecular formula of 6-Bromo-3-(2-phenylethyl)naphthalene-1,2,4-triyl triacetate?
The molecular formula of 6-Bromo-3-(2-phenylethyl)naphthalene-1,2,4-triyl triacetate is C24H21BrO6.
What is the molecular weight of 6-Bromo-3-(2-phenylethyl)naphthalene-1,2,4-triyl triacetate?
The molecular weight of 6-Bromo-3-(2-phenylethyl)naphthalene-1,2,4-triyl triacetate is 484.05 g/mol.
Where can I buy 6-Bromo-3-(2-phenylethyl)naphthalene-1,2,4-triyl triacetate?
You can request a quote for 6-Bromo-3-(2-phenylethyl)naphthalene-1,2,4-triyl triacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Bromo-3-(2-phenylethyl)naphthalene-1,2,4-triyl triacetate?
Yes, KEHONG BIO provides custom synthesis services for 6-Bromo-3-(2-phenylethyl)naphthalene-1,2,4-triyl triacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.