(5-Hydroxynaphthalen-1-yl) 4-bromobenzoate
TL;DR: (5-Hydroxynaphthalen-1-yl) 4-bromobenzoate (CAS 791841-61-7) is a chemical compound with molecular formula C17H11BrO3 and molecular weight 341.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-hydroxynaphthalen-1-yl) 4-bromobenzoate
Also Known As: 5-hydroxy-1-naphthyl 4-bromobenzoate, (5-hydroxynaphthalen-1-yl) 4-bromobenzoate, AO-548/43196671
| Molecular Formula | C17H11BrO3 |
|---|---|
| Molecular Weight | 341.99 g/mol |
| LogP | 4.5271 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 341.98917 |
| Heavy Atoms | 21 |
| Complexity | 809.8831 |
Chemical Identifiers
| CAS Number | 791841-61-7 |
|---|---|
| SMILES | C1=CC2=C(C=CC=C2OC(=O)C3=CC=C(C=C3)Br)C(=C1)O |
Product Overview
(5-Hydroxynaphthalen-1-yl) 4-bromobenzoate (CAS 791841-61-7), with molecular formula C17H11BrO3 and molecular weight 341.99 g/mol. IUPAC: (5-hydroxynaphthalen-1-yl) 4-bromobenzoate.
Chemical Property Profile of (5-Hydroxynaphthalen-1-yl) 4-bromobenzoate
Property Insights of (5-Hydroxynaphthalen-1-yl) 4-bromobenzoate
The XLogP value of 4.5271 indicates that (5-Hydroxynaphthalen-1-yl) 4-bromobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.53 Ų, (5-Hydroxynaphthalen-1-yl) 4-bromobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5-Hydroxynaphthalen-1-yl) 4-bromobenzoate has 1 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 (5-Hydroxynaphthalen-1-yl) 4-bromobenzoate?
The CAS number of (5-Hydroxynaphthalen-1-yl) 4-bromobenzoate is 791841-61-7.
What is the molecular formula of (5-Hydroxynaphthalen-1-yl) 4-bromobenzoate?
The molecular formula of (5-Hydroxynaphthalen-1-yl) 4-bromobenzoate is C17H11BrO3.
What is the molecular weight of (5-Hydroxynaphthalen-1-yl) 4-bromobenzoate?
The molecular weight of (5-Hydroxynaphthalen-1-yl) 4-bromobenzoate is 341.99 g/mol.
Where can I buy (5-Hydroxynaphthalen-1-yl) 4-bromobenzoate?
You can request a quote for (5-Hydroxynaphthalen-1-yl) 4-bromobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-Hydroxynaphthalen-1-yl) 4-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (5-Hydroxynaphthalen-1-yl) 4-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.