3-Bromobenzyl 1-naphthoate
TL;DR: 3-Bromobenzyl 1-naphthoate (CAS 685848-34-4) 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.
(3-bromophenyl)methyl naphthalene-1-carboxylate
Also Known As: 3-bromobenzyl 1-naphthoate, (3-Bromophenyl)methyl 1-naphthalenecarboxylate, (3-bromophenyl)methyl naphthalene-1-carboxylate, (3-bromophenyl)methyl naphthalenecarboxylate, AP-906/42551369
| Molecular Formula | C18H13BrO2 |
|---|---|
| Molecular Weight | 340.01 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 340.0099 |
| Heavy Atoms | 21 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 685848-34-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=C2C(=O)OCC3=CC(=CC=C3)Br |
| InChIKey | HZTNKCNUYJUIGX-UHFFFAOYSA-N |
Product Overview
3-Bromobenzyl 1-naphthoate (CAS 685848-34-4), with molecular formula C18H13BrO2 and molecular weight 340.01 g/mol. IUPAC: (3-bromophenyl)methyl naphthalene-1-carboxylate.
Chemical Property Profile of 3-Bromobenzyl 1-naphthoate
Property Insights of 3-Bromobenzyl 1-naphthoate
The XLogP value of 5.2 indicates that 3-Bromobenzyl 1-naphthoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Bromobenzyl 1-naphthoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromobenzyl 1-naphthoate 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 3-Bromobenzyl 1-naphthoate?
The CAS number of 3-Bromobenzyl 1-naphthoate is 685848-34-4.
What is the molecular formula of 3-Bromobenzyl 1-naphthoate?
The molecular formula of 3-Bromobenzyl 1-naphthoate is C18H13BrO2.
What is the molecular weight of 3-Bromobenzyl 1-naphthoate?
The molecular weight of 3-Bromobenzyl 1-naphthoate is 340.01 g/mol.
Where can I buy 3-Bromobenzyl 1-naphthoate?
You can request a quote for 3-Bromobenzyl 1-naphthoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromobenzyl 1-naphthoate?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromobenzyl 1-naphthoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.