5-Bromo-2-naphthyl 4-methylbenzoate
TL;DR: 5-Bromo-2-naphthyl 4-methylbenzoate (CAS 791841-82-2) is a chemical compound with molecular formula C18H13BrO2 and molecular weight 340.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-bromonaphthalen-2-yl) 4-methylbenzoate
Also Known As: 5-bromo-2-naphthyl 4-methylbenzoate, (5-bromonaphthalen-2-yl) 4-methylbenzoate, AO-548/43196725
| Molecular Formula | C18H13BrO2 |
|---|---|
| Molecular Weight | 340.01 g/mol |
| LogP | 5.12992 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 340.0099 |
| Heavy Atoms | 21 |
| Complexity | 807.0662 |
Chemical Identifiers
| CAS Number | 791841-82-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=CC=C3)Br |
Product Overview
5-Bromo-2-naphthyl 4-methylbenzoate (CAS 791841-82-2), with molecular formula C18H13BrO2 and molecular weight 340.01 g/mol. IUPAC: (5-bromonaphthalen-2-yl) 4-methylbenzoate.
Chemical Property Profile of 5-Bromo-2-naphthyl 4-methylbenzoate
Property Insights of 5-Bromo-2-naphthyl 4-methylbenzoate
The XLogP value of 5.12992 indicates that 5-Bromo-2-naphthyl 4-methylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 5-Bromo-2-naphthyl 4-methylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromo-2-naphthyl 4-methylbenzoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Bromo-2-naphthyl 4-methylbenzoate?
The CAS number of 5-Bromo-2-naphthyl 4-methylbenzoate is 791841-82-2.
What is the molecular formula of 5-Bromo-2-naphthyl 4-methylbenzoate?
The molecular formula of 5-Bromo-2-naphthyl 4-methylbenzoate is C18H13BrO2.
What is the molecular weight of 5-Bromo-2-naphthyl 4-methylbenzoate?
The molecular weight of 5-Bromo-2-naphthyl 4-methylbenzoate is 340.01 g/mol.
Where can I buy 5-Bromo-2-naphthyl 4-methylbenzoate?
You can request a quote for 5-Bromo-2-naphthyl 4-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-2-naphthyl 4-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-2-naphthyl 4-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.