3,5-Bis(benzyloxy)-alpha-chlorotoluene
TL;DR: 3,5-Bis(benzyloxy)-alpha-chlorotoluene (CAS 1699-59-8) is a chemical compound with molecular formula C21H19ClO2 and molecular weight 338.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(chloromethyl)-1,2-bis(phenylmethoxy)benzene
Also Known As: 3,4-Dibenzyloxybenzyl chloride, 3,4-Bis(Benzyloxy)benzyl chloride, 4-(chloromethyl)-1,2-bis(phenylmethoxy)benzene, 3,5-Bis(benzyloxy)-alpha-chlorotoluene, 3,4-Dibenzyl-Oxybenzyl Chloride
| Molecular Formula | C21H19ClO2 |
|---|---|
| Molecular Weight | 338.11 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 338.10736 |
| Heavy Atoms | 24 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 1699-59-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=C(C=C(C=C2)CCl)OCC3=CC=CC=C3 |
| InChIKey | DDAGFZBQVSGXJN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Bis(benzyloxy)-alpha-chlorotoluene (CAS 1699-59-8), with molecular formula C21H19ClO2 and molecular weight 338.11 g/mol. IUPAC: 4-(chloromethyl)-1,2-bis(phenylmethoxy)benzene.
Chemical Property Profile of 3,5-Bis(benzyloxy)-alpha-chlorotoluene
Property Insights of 3,5-Bis(benzyloxy)-alpha-chlorotoluene
The XLogP value of 5.0 indicates that 3,5-Bis(benzyloxy)-alpha-chlorotoluene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, 3,5-Bis(benzyloxy)-alpha-chlorotoluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Bis(benzyloxy)-alpha-chlorotoluene has 0 hydrogen bond donor(s) and 2 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 3,5-Bis(benzyloxy)-alpha-chlorotoluene?
The CAS number of 3,5-Bis(benzyloxy)-alpha-chlorotoluene is 1699-59-8.
What is the molecular formula of 3,5-Bis(benzyloxy)-alpha-chlorotoluene?
The molecular formula of 3,5-Bis(benzyloxy)-alpha-chlorotoluene is C21H19ClO2.
What is the molecular weight of 3,5-Bis(benzyloxy)-alpha-chlorotoluene?
The molecular weight of 3,5-Bis(benzyloxy)-alpha-chlorotoluene is 338.11 g/mol.
Where can I buy 3,5-Bis(benzyloxy)-alpha-chlorotoluene?
You can request a quote for 3,5-Bis(benzyloxy)-alpha-chlorotoluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Bis(benzyloxy)-alpha-chlorotoluene?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Bis(benzyloxy)-alpha-chlorotoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.