3-Benzyloxybenzyl bromide
TL;DR: 3-Benzyloxybenzyl bromide (CAS 1700-31-8) is a chemical compound with molecular formula C14H13BrO and molecular weight 276.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(bromomethyl)-3-phenylmethoxybenzene
Also Known As: 3-Benzyloxybenzyl bromide, 1-(benzyloxy)-3-(bromomethyl)benzene, 3-Benzyloxybenzylbromide, 3-(benzyloxy)benzyl bromide, m-benzyloxybenzylbromide
| Molecular Formula | C14H13BrO |
|---|---|
| Molecular Weight | 276.01 g/mol |
| LogP | 4.1605 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 276.01498 |
| Heavy Atoms | 16 |
| Complexity | 439.49814 |
Chemical Identifiers
| CAS Number | 1700-31-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=CC=CC(=C2)CBr |
Product Overview
3-Benzyloxybenzyl bromide (CAS 1700-31-8), with molecular formula C14H13BrO and molecular weight 276.01 g/mol. IUPAC: 1-(bromomethyl)-3-phenylmethoxybenzene.
Chemical Property Profile of 3-Benzyloxybenzyl bromide
Property Insights of 3-Benzyloxybenzyl bromide
The XLogP value of 4.1605 indicates that 3-Benzyloxybenzyl bromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.23 Ų, 3-Benzyloxybenzyl bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzyloxybenzyl bromide has 0 hydrogen bond donor(s) and 1 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 3-Benzyloxybenzyl bromide?
The CAS number of 3-Benzyloxybenzyl bromide is 1700-31-8.
What is the molecular formula of 3-Benzyloxybenzyl bromide?
The molecular formula of 3-Benzyloxybenzyl bromide is C14H13BrO.
What is the molecular weight of 3-Benzyloxybenzyl bromide?
The molecular weight of 3-Benzyloxybenzyl bromide is 276.01 g/mol.
Where can I buy 3-Benzyloxybenzyl bromide?
You can request a quote for 3-Benzyloxybenzyl bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzyloxybenzyl bromide?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzyloxybenzyl bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.